N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

C17H20N2O — CID 62553117

IUPACN-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(N)c2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-6-7-14(8-13(12)2)10-17(20)19-11-15-4-3-5-16(18)9-15/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyCSQCCEWVTRHPBI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.74
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 62553117) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID62553117
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(N)c2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-6-7-14(8-13(12)2)10-17(20)19-11-15-4-3-5-16(18)9-15/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyCSQCCEWVTRHPBI-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
2-[3-[2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 69221540

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (CID 62553117) is N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCc2cccc(N)c2)cc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is CSQCCEWVTRHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-7-14(8-13(12)2)10-17(20)19-11-15-4-3-5-16(18)9-15/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(3-aminophenyl)methyl]-2-(3,4-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-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62553117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).