5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide

C27H41N3O3 — CID 175425003

IUPAC5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide
SMILESCC(C)C1CCC(C(=O)Nc2cc(C(N)=O)c(C3CCC(C(C)C)CC3)c(C(N)=O)c2)CC1
InChIInChI=1S/C27H41N3O3/c1-15(2)17-5-9-19(10-6-17)24-22(25(28)31)13-21(14-23(24)26(29)32)30-27(33)20-11-7-18(8-12-20)16(3)4/h13-20H,5-12H2,1-4H3,(H2,28,31)(H2,29,32)(H,30,33)
InChIKeyCPANZQGCKBAQOS-UHFFFAOYSA-N
MW455.64 g/mol
LogP5.22
Rot. Bonds7

About 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide

5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide (PubChem CID 175425003) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide
PubChem CID175425003
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide
SMILESCC(C)C1CCC(C(=O)Nc2cc(C(N)=O)c(C3CCC(C(C)C)CC3)c(C(N)=O)c2)CC1
InChIInChI=1S/C27H41N3O3/c1-15(2)17-5-9-19(10-6-17)24-22(25(28)31)13-21(14-23(24)26(29)32)30-27(33)20-11-7-18(8-12-20)16(3)4/h13-20H,5-12H2,1-4H3,(H2,28,31)(H2,29,32)(H,30,33)
InChIKeyCPANZQGCKBAQOS-UHFFFAOYSA-N
XLogP5.22
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-butylcyclohexanecarbonyl)amino]-2-(4-tert-butylcyclohexyl)benzene-1,3-dicarboxamide
CID 176728999
2,4,5-tris(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide
CID 174173464
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
CID 9466178
ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide
CID 167456902
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
5-(piperidine-4-carbonylamino)benzene-1,3-dicarboxamide
CID 61276320
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide (CID 175425003) is 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide is CC(C)C1CCC(C(=O)Nc2cc(C(N)=O)c(C3CCC(C(C)C)CC3)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide?
The InChIKey is CPANZQGCKBAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-15(2)17-5-9-19(10-6-17)24-22(25(28)31)13-21(14-23(24)26(29)32)30-27(33)20-11-7-18(8-12-20)16(3)4/h13-20H,5-12H2,1-4H3,(H2,28,31)(H2,29,32)(H,30,33).
What are the key properties of 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide?
5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide has a molecular weight of 455.64 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylcyclohexanecarbonyl)amino]-2-(4-propan-2-ylcyclohexyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 175425003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).