1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide

C18H18N2O2 — CID 109050687

IUPAC1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18N2O2/c21-17(19-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)18(22)20-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeySEKIJILGRUOKDG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds5

About 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide

1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide (PubChem CID 109050687) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
PubChem CID109050687
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18N2O2/c21-17(19-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)18(22)20-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeySEKIJILGRUOKDG-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide (CID 109050687) is 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide is O=C(NCc1ccccc1)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The InChIKey is SEKIJILGRUOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(19-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)18(22)20-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide?
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).