N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide

C30H47N3O3 — CID 130404848

IUPACN-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cc(NC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C30H47N3O3/c1-19(34)31-24-16-25(32-27(35)20-8-12-22(13-9-20)29(2,3)4)18-26(17-24)33-28(36)21-10-14-23(15-11-21)30(5,6)7/h16-18,20-23H,8-15H2,1-7H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyPNIQGZKJZKISAF-UHFFFAOYSA-N
MW497.72 g/mol
LogP7.23
Rot. Bonds5

About N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide

N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 130404848) has the molecular formula C30H47N3O3 and a molecular weight of 497.72 g/mol. Its IUPAC name is N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
PubChem CID130404848
Molecular FormulaC30H47N3O3
Molecular Weight497.72 g/mol
Exact Mass497.36
IUPAC NameN-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cc(NC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C30H47N3O3/c1-19(34)31-24-16-25(32-27(35)20-8-12-22(13-9-20)29(2,3)4)18-26(17-24)33-28(36)21-10-14-23(15-11-21)30(5,6)7/h16-18,20-23H,8-15H2,1-7H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyPNIQGZKJZKISAF-UHFFFAOYSA-N
XLogP7.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.72
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
CID 107333878
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 24637683
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 7918659
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
CID 159362022
N-[4-butan-2-yl-3-[(4-tert-butylcyclohexanecarbonyl)amino]-5-formamidophenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404884
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide (CID 130404848) is N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide is CC(=O)Nc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cc(NC(=O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is PNIQGZKJZKISAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O3/c1-19(34)31-24-16-25(32-27(35)20-8-12-22(13-9-20)29(2,3)4)18-26(17-24)33-28(36)21-10-14-23(15-11-21)30(5,6)7/h16-18,20-23H,8-15H2,1-7H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide?
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 497.72 g/mol, XLogP of 7.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 130404848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).