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

C18H21N3O2 — CID 51244601

IUPACN-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-10-16(11-5-13)20-18(23)21(3)12-14-6-8-15(9-7-14)17(22)19-2/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRBDYTJBQCUQOHO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.02
Rot. Bonds4

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

N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide (PubChem CID 51244601) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
PubChem CID51244601
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-10-16(11-5-13)20-18(23)21(3)12-14-6-8-15(9-7-14)17(22)19-2/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRBDYTJBQCUQOHO-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

N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 27734618
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 38748417
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111289196
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43457897

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide (CID 51244601) is N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide?
The InChIKey is RBDYTJBQCUQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-10-16(11-5-13)20-18(23)21(3)12-14-6-8-15(9-7-14)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-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(4-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-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 51244601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).