4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 109149711

IUPAC4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-18(2)26(17-19-9-5-3-6-10-19)24(28)21-15-13-20(14-16-21)23(27)25-22-11-7-4-8-12-22/h3-12,18,20-21H,13-17H2,1-2H3,(H,25,27)
InChIKeyKMDOMJYYABRWGQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.87
Rot. Bonds6

About 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109149711) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109149711
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-18(2)26(17-19-9-5-3-6-10-19)24(28)21-15-13-20(14-16-21)23(27)25-22-11-7-4-8-12-22/h3-12,18,20-21H,13-17H2,1-2H3,(H,25,27)
InChIKeyKMDOMJYYABRWGQ-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 119792447

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109149711) is 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is KMDOMJYYABRWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)26(17-19-9-5-3-6-10-19)24(28)21-15-13-20(14-16-21)23(27)25-22-11-7-4-8-12-22/h3-12,18,20-21H,13-17H2,1-2H3,(H,25,27).
What are the key properties of 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).