N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide

C17H20N2O — CID 62539487

IUPACN-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-13(2)15(9-12)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyZFMZREUIGXYLQU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.74
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide

N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62539487) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID62539487
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-3-4-13(2)15(9-12)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyZFMZREUIGXYLQU-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[[2-(2,5-dimethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247331
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[(E)-4-chlorobut-2-enyl]-2-(2,5-dimethylphenyl)acetamide
CID 81430040
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 166204960
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide (CID 62539487) is N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCc2ccc(N)cc2)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZFMZREUIGXYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-4-13(2)15(9-12)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62539487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).