N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide

C17H18N2O2 — CID 94514836

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
SMILESNC(=O)[C@H](NC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-17(21)16(14-9-5-2-6-10-14)19-15(20)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H2,18,21)(H,19,20)/t16-/m1/s1
InChIKeyWVDCMITVBBFVKK-MRXNPFEDSA-N
MW282.34 g/mol
LogP1.96
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide (PubChem CID 94514836) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
PubChem CID94514836
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
SMILESNC(=O)[C@H](NC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-17(21)16(14-9-5-2-6-10-14)19-15(20)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H2,18,21)(H,19,20)/t16-/m1/s1
InChIKeyWVDCMITVBBFVKK-MRXNPFEDSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
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N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
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CID 56810885
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
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N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666
(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
2-[(2-nitrosoacetyl)amino]-2-phenylacetamide
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CID 42377162
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(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide (CID 94514836) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide is NC(=O)[C@H](NC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide?
The InChIKey is WVDCMITVBBFVKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17(21)16(14-9-5-2-6-10-14)19-15(20)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H2,18,21)(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide is sourced from PubChem (CID 94514836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).