N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide

C17H19N3O2 — CID 108898073

IUPACN-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-4-3-5-14(10-12)11-18-17(22)20-16-8-6-15(7-9-16)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyAUUVUCVJVOTPLP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.28
Rot. Bonds4

About N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide

N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 108898073) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID108898073
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-4-3-5-14(10-12)11-18-17(22)20-16-8-6-15(7-9-16)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyAUUVUCVJVOTPLP-UHFFFAOYSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
1-[(3-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108898186

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide (CID 108898073) is N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is AUUVUCVJVOTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-3-5-14(10-12)11-18-17(22)20-16-8-6-15(7-9-16)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108898073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).