N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide

C18H21N3O2 — CID 86987874

IUPACN-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H21N3O2/c1-13-7-4-5-8-15(13)12-21(3)18(23)20-17-10-6-9-16(11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMLBQKEXACNOIEP-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.62
Rot. Bonds4

About N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide

N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide (PubChem CID 86987874) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
PubChem CID86987874
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H21N3O2/c1-13-7-4-5-8-15(13)12-21(3)18(23)20-17-10-6-9-16(11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMLBQKEXACNOIEP-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
N-[3-[2-[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111286825
1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
CID 86987903
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
CID 60922077
N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
CID 47033342
3-(3-bromophenyl)-1-methyl-1-[(2-methylphenyl)methyl]thiourea
CID 9235525
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide (CID 86987874) is N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2C)c1.
What is the InChIKey of N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide?
The InChIKey is MLBQKEXACNOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-4-5-8-15(13)12-21(3)18(23)20-17-10-6-9-16(11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide?
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 86987874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).