(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide

C18H21ClN2O — CID 124684118

IUPAC(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
SMILESCC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-17(14-8-10-15(19)11-9-14)21-18(22)12-16(20)13-6-4-3-5-7-13/h3-11,16-17H,2,12,20H2,1H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyVTCYOYGSVAYASX-IRXDYDNUSA-N
MW316.83 g/mol
LogP4.00
Rot. Bonds6

About (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide

(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide (PubChem CID 124684118) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
PubChem CID124684118
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
SMILESCC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-17(14-8-10-15(19)11-9-14)21-18(22)12-16(20)13-6-4-3-5-7-13/h3-11,16-17H,2,12,20H2,1H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyVTCYOYGSVAYASX-IRXDYDNUSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide (CID 124684118) is (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide is CC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide?
The InChIKey is VTCYOYGSVAYASX-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-17(14-8-10-15(19)11-9-14)21-18(22)12-16(20)13-6-4-3-5-7-13/h3-11,16-17H,2,12,20H2,1H3,(H,21,22)/t16-,17-/m0/s1.
What are the key properties of (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide?
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide has a molecular weight of 316.83 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 124684118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).