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

C16H18N2O — CID 39357021

IUPACN-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C16H18N2O/c1-12-6-8-14(9-7-12)11-18(13(2)19)16-5-3-4-15(17)10-16/h3-10H,11,17H2,1-2H3
InChIKeyVWYHWEXKRCDPKQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds3

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

N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 39357021) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID39357021
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C16H18N2O/c1-12-6-8-14(9-7-12)11-18(13(2)19)16-5-3-4-15(17)10-16/h3-10H,11,17H2,1-2H3
InChIKeyVWYHWEXKRCDPKQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 39423192
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
methyl 2-(N-acetyl-3-aminoanilino)acetate
CID 68837946
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
CID 162429376
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 39357021) is N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide is CC(=O)N(Cc1ccc(C)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VWYHWEXKRCDPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-6-8-14(9-7-12)11-18(13(2)19)16-5-3-4-15(17)10-16/h3-10H,11,17H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide?
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 39357021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).