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

C20H29NO2 — CID 58363591

IUPAC(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NO2/c1-19(2,3)16(17(22)20(4,5)6)21-18(23)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-16H,12H2,1-6H3,(H,21,23)/t14?,15-,16-/m1/s1
InChIKeyUUFVUQSBRKOQFY-ANGDWKNPSA-N
MW315.46 g/mol
LogP3.94
Rot. Bonds4

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

(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (PubChem CID 58363591) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
PubChem CID58363591
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NO2/c1-19(2,3)16(17(22)20(4,5)6)21-18(23)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-16H,12H2,1-6H3,(H,21,23)/t14?,15-,16-/m1/s1
InChIKeyUUFVUQSBRKOQFY-ANGDWKNPSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 145466629
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 106355534
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324

Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (CID 58363591) is (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1CC1c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is UUFVUQSBRKOQFY-ANGDWKNPSA-N. The full InChI is InChI=1S/C20H29NO2/c1-19(2,3)16(17(22)20(4,5)6)21-18(23)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-16H,12H2,1-6H3,(H,21,23)/t14?,15-,16-/m1/s1.
What are the key properties of (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).