2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide

C17H20N2O — CID 62499017

IUPAC2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-19(11-10-14-6-3-2-4-7-14)17(20)13-15-8-5-9-16(18)12-15/h2-9,12H,10-11,13,18H2,1H3
InChIKeyOHXHLXKLCCFXMW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide

2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 62499017) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID62499017
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-19(11-10-14-6-3-2-4-7-14)17(20)13-15-8-5-9-16(18)12-15/h2-9,12H,10-11,13,18H2,1H3
InChIKeyOHXHLXKLCCFXMW-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.51
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

2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide
CID 114236440
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
CID 61107981
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide (CID 62499017) is 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is OHXHLXKLCCFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(11-10-14-6-3-2-4-7-14)17(20)13-15-8-5-9-16(18)12-15/h2-9,12H,10-11,13,18H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide?
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 62499017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).