(1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

C136H199FN12O15 — CID 161387378

About (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

(1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (PubChem CID 161387378) has the molecular formula C136H199FN12O15 and a molecular weight of 2261.15 g/mol. Its IUPAC name is (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 161387378
• Molecular Formula: C136H199FN12O15
• Molecular Weight: 2261.15 g/mol
• Exact Mass: 2259.52
• IUPAC Name: (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
• SMILES: CC(C)(C)C(=O)[C@@H](NC(=O)C1CC1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1cccnc1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1cccc(F)c1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1cccnc1)C(C)(C)C.COc1ccccc1C1C[C@H]1C(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C21H31NO3.C20H28FNO2.5C19H28N2O2/c1-20(2,3)17(18(23)21(4,5)6)22-19(24)15-12-14(15)13-10-8-9-11-16(13)25-7;1-19(2,3)16(17(23)20(4,5)6)22-18(24)15-11-14(15)12-8-7-9-13(21)10-12;2*1-18(2,3)15(16(22)19(4,5)6)21-17(23)14-10-13(14)12-8-7-9-20-11-12;3*1-18(2,3)15(16(22)19(4,5)6)21-17(23)13-11-12(13)14-9-7-8-10-20-14/h8-11,14-15,17H,12H2,1-7H3,(H,22,24);7-10,14-16H,11H2,1-6H3,(H,22,24);2*7-9,11,13-15H,10H2,1-6H3,(H,21,23);3*7-10,12-13,15H,11H2,1-6H3,(H,21,23)/t14?,15-,17-;14?,15-,16-;13?,14-,15-;13-,14?,15-;12?,13?,15-;12?,13-,15-;12-,13?,15+/m1111110/s1
• InChIKey: VSNJIZNNVOJIDV-ABMNCTDMSA-N
• XLogP: 24.68
• TPSA: 396.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.15
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (CID 161387378) is (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is CC(C)(C)C(=O)[C@@H](NC(=O)C1CC1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1cccnc1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1cccc(F)c1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1ccccn1)C(C)(C)C.CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1cccnc1)C(C)(C)C.COc1ccccc1C1C[C@H]1C(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C.

What is the InChIKey of (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?

The InChIKey is VSNJIZNNVOJIDV-ABMNCTDMSA-N. The full InChI is InChI=1S/C21H31NO3.C20H28FNO2.5C19H28N2O2/c1-20(2,3)17(18(23)21(4,5)6)22-19(24)15-12-14(15)13-10-8-9-11-16(13)25-7;1-19(2,3)16(17(23)20(4,5)6)22-18(24)15-11-14(15)12-8-7-9-13(21)10-12;2*1-18(2,3)15(16(22)19(4,5)6)21-17(23)14-10-13(14)12-8-7-9-20-11-12;3*1-18(2,3)15(16(22)19(4,5)6)21-17(23)13-11-12(13)14-9-7-8-10-20-14/h8-11,14-15,17H,12H2,1-7H3,(H,22,24);7-10,14-16H,11H2,1-6H3,(H,22,24);2*7-9,11,13-15H,10H2,1-6H3,(H,21,23);3*7-10,12-13,15H,11H2,1-6H3,(H,21,23)/t14?,15-,17-;14?,15-,16-;13?,14-,15-;13-,14?,15-;12?,13?,15-;12?,13-,15-;12-,13?,15+/m1111110/s1.

What are the key properties of (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?

(1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 2261.15 g/mol, XLogP of 24.68, 29 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(3-fluorophenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-(2-methoxyphenyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(1R)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;2-pyridin-2-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide;(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 161387378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).