cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide

C25H35NO3 — CID 100768346

About cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide

cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 100768346) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
• PubChem CID: 100768346
• Molecular Formula: C25H35NO3
• Molecular Weight: 397.56 g/mol
• Exact Mass: 397.26
• IUPAC Name: cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
• SMILES: CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c3ccccc23)CCC[C@@H](C)C1
• InChI: InChI=1S/C25H35NO3/c1-5-16-28-25(15-9-10-18(3)17-25)24(27)26-22-13-14-23(29-19(4)6-2)21-12-8-7-11-20(21)22/h7-8,11-14,18-19H,5-6,9-10,15-17H2,1-4H3,(H,26,27)/t18-,19-,25-/m1/s1
• InChIKey: FMBFXLRFCAIDFE-MPCDZSKCSA-N
• XLogP: 6.33
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.56
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide?

The IUPAC name of cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 100768346) is cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide?

The canonical SMILES for cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c3ccccc23)CCC[C@@H](C)C1.

What is the InChIKey of cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide?

The InChIKey is FMBFXLRFCAIDFE-MPCDZSKCSA-N. The full InChI is InChI=1S/C25H35NO3/c1-5-16-28-25(15-9-10-18(3)17-25)24(27)26-22-13-14-23(29-19(4)6-2)21-12-8-7-11-20(21)22/h7-8,11-14,18-19H,5-6,9-10,15-17H2,1-4H3,(H,26,27)/t18-,19-,25-/m1/s1.

What are the key properties of cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide?

cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100768346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).