N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide

C17H17NO2 — CID 141364621

IUPACN-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide
SMILES[2H]N(C(C)=O)[C@@H](Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(19)18-16(12-14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,18,19)/t16-/m0/s1/i/hD
InChIKeyVAWLDLJCAOHWMX-OXNKVLSNSA-N
MW268.33 g/mol
LogP2.62
Rot. Bonds5

About N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide

N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide (PubChem CID 141364621) has the molecular formula C17H17NO2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide
PubChem CID141364621
Molecular FormulaC17H17NO2
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC NameN-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide
SMILES[2H]N(C(C)=O)[C@@H](Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(19)18-16(12-14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,18,19)/t16-/m0/s1/i/hD
InChIKeyVAWLDLJCAOHWMX-OXNKVLSNSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
N-(1-benzylsulfanyl-2-oxo-2-phenylethyl)acetamide
CID 71832889
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
CID 90765591
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422

Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide?
The IUPAC name of N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide (CID 141364621) is N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide.
What is the SMILES notation for N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide?
The canonical SMILES for N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide is [2H]N(C(C)=O)[C@@H](Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide?
The InChIKey is VAWLDLJCAOHWMX-OXNKVLSNSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(19)18-16(12-14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,18,19)/t16-/m0/s1/i/hD.
What are the key properties of N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide?
N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide has a molecular weight of 268.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide is sourced from PubChem (CID 141364621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).