N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide

C17H19N3O2 — CID 108899099

IUPACN-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H19N3O2/c1-12-6-8-14(9-7-12)11-19-17(22)20(13(2)21)16-5-3-4-15(18)10-16/h3-10H,11,18H2,1-2H3,(H,19,22)
InChIKeyWVERMNOPSQAXGQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.84
Rot. Bonds3

About N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide

N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide (PubChem CID 108899099) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
PubChem CID108899099
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H19N3O2/c1-12-6-8-14(9-7-12)11-19-17(22)20(13(2)21)16-5-3-4-15(18)10-16/h3-10H,11,18H2,1-2H3,(H,19,22)
InChIKeyWVERMNOPSQAXGQ-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
CID 108884466
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
CID 108898789
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-(3-aminophenyl)-N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propylcarbamoyl]acetamide
CID 108889881

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide (CID 108899099) is N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide is CC(=O)N(C(=O)NCc1ccc(C)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The InChIKey is WVERMNOPSQAXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-6-8-14(9-7-12)11-19-17(22)20(13(2)21)16-5-3-4-15(18)10-16/h3-10H,11,18H2,1-2H3,(H,19,22).
What are the key properties of N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 108899099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).