4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

C26H40N2O2 — CID 174928613

IUPAC4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-17(2)19-9-13-21(14-10-19)25(29)27-23-7-5-6-8-24(23)28-26(30)22-15-11-20(12-16-22)18(3)4/h5-8,17-22H,9-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyNICSDXGISGRTGN-UHFFFAOYSA-N
MW412.62 g/mol
LogP6.49
Rot. Bonds6

About 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (PubChem CID 174928613) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
PubChem CID174928613
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Name4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-17(2)19-9-13-21(14-10-19)25(29)27-23-7-5-6-8-24(23)28-26(30)22-15-11-20(12-16-22)18(3)4/h5-8,17-22H,9-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyNICSDXGISGRTGN-UHFFFAOYSA-N
XLogP6.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577071
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (CID 174928613) is 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The InChIKey is NICSDXGISGRTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-17(2)19-9-13-21(14-10-19)25(29)27-23-7-5-6-8-24(23)28-26(30)22-15-11-20(12-16-22)18(3)4/h5-8,17-22H,9-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide has a molecular weight of 412.62 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 174928613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).