2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide

C17H21N3O — CID 43459401

IUPAC2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
SMILESCCN(CC(=O)Nc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C17H21N3O/c1-2-20(12-14-8-6-7-11-16(14)18)13-17(21)19-15-9-4-3-5-10-15/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyWDLKZQOMUNGKJR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.73
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide

2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide (PubChem CID 43459401) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
PubChem CID43459401
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
SMILESCCN(CC(=O)Nc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C17H21N3O/c1-2-20(12-14-8-6-7-11-16(14)18)13-17(21)19-15-9-4-3-5-10-15/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyWDLKZQOMUNGKJR-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.73
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

2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
CID 60729665
2-ethylaniline;N-phenylbutanamide
CID 68720946
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-amino-6-[[ethyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 104824356
N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 112822895
N-(2-deuteriophenyl)-2-(diethylamino)acetamide
CID 15707008
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide (CID 43459401) is 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide is CCN(CC(=O)Nc1ccccc1)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide?
The InChIKey is WDLKZQOMUNGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-20(12-14-8-6-7-11-16(14)18)13-17(21)19-15-9-4-3-5-10-15/h3-11H,2,12-13,18H2,1H3,(H,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide?
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide has a molecular weight of 283.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide is sourced from PubChem (CID 43459401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).