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

C18H18N2O2 — CID 109043347

IUPAC1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H18N2O2/c1-12-3-2-4-16(11-12)20-18(22)14-7-5-13(6-8-14)17(21)19-15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPZDJZOSTBUAYJS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.14
Rot. Bonds4

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

1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043347) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109043347
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H18N2O2/c1-12-3-2-4-16(11-12)20-18(22)14-7-5-13(6-8-14)17(21)19-15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPZDJZOSTBUAYJS-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (CID 109043347) is 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is Cc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is PZDJZOSTBUAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-3-2-4-16(11-12)20-18(22)14-7-5-13(6-8-14)17(21)19-15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).