3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide

C20H26N2O — CID 120611344

IUPAC3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
SMILESCCC(Cc1ccccc1)N(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C20H26N2O/c1-3-18(15-16-9-5-4-6-10-16)22(2)20(23)14-13-17-11-7-8-12-19(17)21/h4-12,18H,3,13-15,21H2,1-2H3
InChIKeyWJKOEKDNVLXRDF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds7

About 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide

3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide (PubChem CID 120611344) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
PubChem CID120611344
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
SMILESCCC(Cc1ccccc1)N(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C20H26N2O/c1-3-18(15-16-9-5-4-6-10-16)22(2)20(23)14-13-17-11-7-8-12-19(17)21/h4-12,18H,3,13-15,21H2,1-2H3
InChIKeyWJKOEKDNVLXRDF-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
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

4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 2106709

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide (CID 120611344) is 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide is CCC(Cc1ccccc1)N(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide?
The InChIKey is WJKOEKDNVLXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-18(15-16-9-5-4-6-10-16)22(2)20(23)14-13-17-11-7-8-12-19(17)21/h4-12,18H,3,13-15,21H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 120611344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).