4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide

C27H51NO — CID 145089732

IUPAC4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide
SMILESCCCC1(C)C(CCCC(N)=O)CCC1C(C)C[C@H](CC)C1CCCCC1(C)C
InChIInChI=1S/C27H51NO/c1-7-17-27(6)22(12-11-14-25(28)29)15-16-23(27)20(3)19-21(8-2)24-13-9-10-18-26(24,4)5/h20-24H,7-19H2,1-6H3,(H2,28,29)/t20?,21-,22?,23?,24?,27?/m0/s1
InChIKeyHMFNBAXHLYSOBO-VSMGNIKFSA-N
MW405.71 g/mol
LogP7.74
Rot. Bonds11

About 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide

4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide (PubChem CID 145089732) has the molecular formula C27H51NO and a molecular weight of 405.71 g/mol. Its IUPAC name is 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide.

Molecular Properties

Compound Name4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide
PubChem CID145089732
Molecular FormulaC27H51NO
Molecular Weight405.71 g/mol
Exact Mass405.40
IUPAC Name4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide
SMILESCCCC1(C)C(CCCC(N)=O)CCC1C(C)C[C@H](CC)C1CCCCC1(C)C
InChIInChI=1S/C27H51NO/c1-7-17-27(6)22(12-11-14-25(28)29)15-16-23(27)20(3)19-21(8-2)24-13-9-10-18-26(24,4)5/h20-24H,7-19H2,1-6H3,(H2,28,29)/t20?,21-,22?,23?,24?,27?/m0/s1
InChIKeyHMFNBAXHLYSOBO-VSMGNIKFSA-N
XLogP7.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide with MolForge

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Related Compounds

(2S)-2-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]propan-1-amine
CID 145164945
(1R)-3-[(3S)-5-[(1S)-3-(2-aminoethyl)-2-methyl-2-propylcyclopentyl]hexan-3-yl]-4,4-dimethylcyclohexan-1-ol;formaldehyde;pyrrolidine-1-sulfinic acid
CID 145165138
N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine
CID 143964132
4-(7-hydroxy-6,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide
CID 169174923
1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
CID 107192806
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
CID 107188380
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol
CID 143286899
ethane;methanethiol;4-[(8R,10R,17S)-5,10,13-trimethyl-8-propan-2-yl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide
CID 145177711
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide?
The IUPAC name of 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide (CID 145089732) is 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide.
What is the SMILES notation for 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide?
The canonical SMILES for 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide is CCCC1(C)C(CCCC(N)=O)CCC1C(C)C[C@H](CC)C1CCCCC1(C)C.
What is the InChIKey of 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide?
The InChIKey is HMFNBAXHLYSOBO-VSMGNIKFSA-N. The full InChI is InChI=1S/C27H51NO/c1-7-17-27(6)22(12-11-14-25(28)29)15-16-23(27)20(3)19-21(8-2)24-13-9-10-18-26(24,4)5/h20-24H,7-19H2,1-6H3,(H2,28,29)/t20?,21-,22?,23?,24?,27?/m0/s1.
What are the key properties of 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide?
4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide has a molecular weight of 405.71 g/mol, XLogP of 7.74, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4S)-4-(2,2-dimethylcyclohexyl)hexan-2-yl]-2-methyl-2-propylcyclopentyl]butanamide is sourced from PubChem (CID 145089732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).