(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

C20H35NO2 — CID 58363638

IUPAC(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1C(C(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C)C1(C)C
InChIInChI=1S/C20H35NO2/c1-12(2)11-13-14(20(13,9)10)17(23)21-15(18(3,4)5)16(22)19(6,7)8/h11,13-15H,1-10H3,(H,21,23)/t13-,14?,15-/m1/s1
InChIKeyYWSLFAHHMWIMDA-GIJJTGMTSA-N
MW321.51 g/mol
LogP4.37
Rot. Bonds4

About (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (PubChem CID 58363638) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
PubChem CID58363638
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1C(C(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C)C1(C)C
InChIInChI=1S/C20H35NO2/c1-12(2)11-13-14(20(13,9)10)17(23)21-15(18(3,4)5)16(22)19(6,7)8/h11,13-15H,1-10H3,(H,21,23)/t13-,14?,15-/m1/s1
InChIKeyYWSLFAHHMWIMDA-GIJJTGMTSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (CID 58363638) is (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1C(C(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C)C1(C)C.
What is the InChIKey of (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YWSLFAHHMWIMDA-GIJJTGMTSA-N. The full InChI is InChI=1S/C20H35NO2/c1-12(2)11-13-14(20(13,9)10)17(23)21-15(18(3,4)5)16(22)19(6,7)8/h11,13-15H,1-10H3,(H,21,23)/t13-,14?,15-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
(3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 321.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58363638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).