N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide

C18H21N3O2 — CID 27734618

IUPACN-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-6-16(11-13)20-18(23)21(3)12-14-7-9-15(10-8-14)17(22)19-2/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGZTCKKQTQPXLAL-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide (PubChem CID 27734618) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
PubChem CID27734618
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-6-16(11-13)20-18(23)21(3)12-14-7-9-15(10-8-14)17(22)19-2/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGZTCKKQTQPXLAL-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
4-[(4-hydroxyphenyl)methyl]-N-(3-methylphenyl)benzamide
CID 167167317
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide (CID 27734618) is N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide?
The InChIKey is GZTCKKQTQPXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-4-6-16(11-13)20-18(23)21(3)12-14-7-9-15(10-8-14)17(22)19-2/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 27734618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).