1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

C20H22N2O2 — CID 109044466

IUPAC1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-8-18(13-14)22-20(24)16-11-9-15(10-12-16)19(23)21-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyWQWUDUPQRKIJIL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.92
Rot. Bonds4

About 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109044466) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109044466
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-8-18(13-14)22-20(24)16-11-9-15(10-12-16)19(23)21-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyWQWUDUPQRKIJIL-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclooctyl-3-methylbenzamide
CID 966011
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
1-N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 44530498
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
4-benzamido-N-cyclopentylbenzamide
CID 1262350

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (CID 109044466) is 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is Cc1cccc(NC(=O)c2ccc(C(=O)NC3CCCC3)cc2)c1.
What is the InChIKey of 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is WQWUDUPQRKIJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-4-8-18(13-14)22-20(24)16-11-9-15(10-12-16)19(23)21-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).