4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C25H41NO2 — CID 67692918

IUPAC4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCCCCCCCC1CCC(c2ccc(C(=O)N[C@H](CO)C(C)C)cc2)CC1
InChIInChI=1S/C25H41NO2/c1-4-5-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)25(28)26-24(18-27)19(2)3/h14-17,19-21,24,27H,4-13,18H2,1-3H3,(H,26,28)/t20?,21?,24-/m1/s1
InChIKeyHAIPAHIHHLDEEQ-SLXFGWRHSA-N
MW387.61 g/mol
LogP6.07
Rot. Bonds11

About 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 67692918) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID67692918
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCCCCCCCC1CCC(c2ccc(C(=O)N[C@H](CO)C(C)C)cc2)CC1
InChIInChI=1S/C25H41NO2/c1-4-5-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)25(28)26-24(18-27)19(2)3/h14-17,19-21,24,27H,4-13,18H2,1-3H3,(H,26,28)/t20?,21?,24-/m1/s1
InChIKeyHAIPAHIHHLDEEQ-SLXFGWRHSA-N
XLogP6.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[4-(4-pentylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 92654645
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
1-[4-(4-pentylcyclohexyl)phenyl]butane-1,3-dione
CID 20503164
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
N-(2,4-diaminophenyl)-4-(4-heptylcyclohexyl)benzamide
CID 90266417
2-bromo-1-[4-(4-pentylcyclohexyl)phenyl]ethanone
CID 74655430
N'-(4-nitrobenzoyl)-4-(4-pentylcyclohexyl)benzohydrazide
CID 4207531
N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide
CID 3577393
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252

Frequently Asked Questions

What is the IUPAC name of 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 67692918) is 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CCCCCCCC1CCC(c2ccc(C(=O)N[C@H](CO)C(C)C)cc2)CC1.
What is the InChIKey of 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is HAIPAHIHHLDEEQ-SLXFGWRHSA-N. The full InChI is InChI=1S/C25H41NO2/c1-4-5-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)25(28)26-24(18-27)19(2)3/h14-17,19-21,24,27H,4-13,18H2,1-3H3,(H,26,28)/t20?,21?,24-/m1/s1.
What are the key properties of 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 387.61 g/mol, XLogP of 6.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 67692918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).