3-amino-2-phenyl-N-(1-phenylpropyl)propanamide

C18H22N2O — CID 62878381

IUPAC3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-17(15-11-7-4-8-12-15)20-18(21)16(13-19)14-9-5-3-6-10-14/h3-12,16-17H,2,13,19H2,1H3,(H,20,21)
InChIKeyATWALWFZLFGBJR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.00
Rot. Bonds6

About 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide

3-amino-2-phenyl-N-(1-phenylpropyl)propanamide (PubChem CID 62878381) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
PubChem CID62878381
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-17(15-11-7-4-8-12-15)20-18(21)16(13-19)14-9-5-3-6-10-14/h3-12,16-17H,2,13,19H2,1H3,(H,20,21)
InChIKeyATWALWFZLFGBJR-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
CID 62878348
(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide (CID 62878381) is 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(CN)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide?
The InChIKey is ATWALWFZLFGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-17(15-11-7-4-8-12-15)20-18(21)16(13-19)14-9-5-3-6-10-14/h3-12,16-17H,2,13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide?
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 62878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).