N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide

C19H21N3O2 — CID 47033154

IUPACN-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
SMILESCc1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-5-7-14(8-6-13)12-20-19(24)22-17-4-2-3-15(11-17)18(23)21-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyJVOIFCQAFOAADW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.21
Rot. Bonds5

About N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide

N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide (PubChem CID 47033154) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
PubChem CID47033154
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
SMILESCc1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-5-7-14(8-6-13)12-20-19(24)22-17-4-2-3-15(11-17)18(23)21-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyJVOIFCQAFOAADW-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide (CID 47033154) is N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide is Cc1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide?
The InChIKey is JVOIFCQAFOAADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-5-7-14(8-6-13)12-20-19(24)22-17-4-2-3-15(11-17)18(23)21-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide?
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 47033154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).