4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide

C28H38N2O2 — CID 7311333

IUPAC4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H38N2O2/c1-27(2,3)21-15-11-19(12-16-21)25(31)29-23-9-7-8-10-24(23)30-26(32)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3,(H,29,31)(H,30,32)/t23-,24+
InChIKeyQUCBRXBTRUSUBQ-PSWAGMNNSA-N
MW434.62 g/mol
LogP5.75
Rot. Bonds4

About 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide

4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 7311333) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID7311333
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H38N2O2/c1-27(2,3)21-15-11-19(12-16-21)25(31)29-23-9-7-8-10-24(23)30-26(32)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3,(H,29,31)(H,30,32)/t23-,24+
InChIKeyQUCBRXBTRUSUBQ-PSWAGMNNSA-N
XLogP5.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[2-(tritylamino)cyclohexyl]benzamide
CID 71814998
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide (CID 7311333) is 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide is CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is QUCBRXBTRUSUBQ-PSWAGMNNSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-27(2,3)21-15-11-19(12-16-21)25(31)29-23-9-7-8-10-24(23)30-26(32)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3,(H,29,31)(H,30,32)/t23-,24+.
What are the key properties of 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide?
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 434.62 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 7311333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).