3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

C18H21N3O2 — CID 9228041

IUPAC3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-8-15(13(2)9-12)11-21(3)17(22)14-5-4-6-16(10-14)20-18(19)23/h4-10H,11H2,1-3H3,(H3,19,20,23)
InChIKeyGDWFMGQTQAYARK-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.07
Rot. Bonds4

About 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (PubChem CID 9228041) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
PubChem CID9228041
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-8-15(13(2)9-12)11-21(3)17(22)14-5-4-6-16(10-14)20-18(19)23/h4-10H,11H2,1-3H3,(H3,19,20,23)
InChIKeyGDWFMGQTQAYARK-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26312991
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (CID 9228041) is 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2cccc(NC(N)=O)c2)c(C)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is GDWFMGQTQAYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-8-15(13(2)9-12)11-21(3)17(22)14-5-4-6-16(10-14)20-18(19)23/h4-10H,11H2,1-3H3,(H3,19,20,23).
What are the key properties of 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 9228041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).