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

C18H22N2O — CID 62498844

IUPAC2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
SMILESCN(CCCc1ccccc1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-20(12-6-10-15-7-3-2-4-8-15)18(21)14-16-9-5-11-17(19)13-16/h2-5,7-9,11,13H,6,10,12,14,19H2,1H3
InChIKeyAVJJIOLIRNYBGU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.90
Rot. Bonds6

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

2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide (PubChem CID 62498844) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
PubChem CID62498844
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
SMILESCN(CCCc1ccccc1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-20(12-6-10-15-7-3-2-4-8-15)18(21)14-16-9-5-11-17(19)13-16/h2-5,7-9,11,13H,6,10,12,14,19H2,1H3
InChIKeyAVJJIOLIRNYBGU-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.90
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-(2-phenylethyl)acetamide
CID 62499017
2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide
CID 114236440
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide (CID 62498844) is 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide is CN(CCCc1ccccc1)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide?
The InChIKey is AVJJIOLIRNYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(12-6-10-15-7-3-2-4-8-15)18(21)14-16-9-5-11-17(19)13-16/h2-5,7-9,11,13H,6,10,12,14,19H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide?
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.90, 6 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-(3-phenylpropyl)acetamide is sourced from PubChem (CID 62498844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).