(2S)-N-methyl-N-phenacyl-2-phenylpropanamide

C18H19NO2 — CID 78324200

IUPAC(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
SMILESC[C@H](C(=O)N(C)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyYDSWIKZEOLEIKF-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.13
Rot. Bonds5

About (2S)-N-methyl-N-phenacyl-2-phenylpropanamide

(2S)-N-methyl-N-phenacyl-2-phenylpropanamide (PubChem CID 78324200) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-phenacyl-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
PubChem CID78324200
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
SMILESC[C@H](C(=O)N(C)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyYDSWIKZEOLEIKF-AWEZNQCLSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
N-methyl-N-phenacylacetamide
CID 15482185
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
3,3-difluoro-N-methyl-N-phenacylpropanamide
CID 86735697
2-(3-benzoylphenyl)-N,N-dimethylpropanamide
CID 3042316
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-phenacyl-2-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-N-phenacyl-2-phenylpropanamide (CID 78324200) is (2S)-N-methyl-N-phenacyl-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-N-phenacyl-2-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-N-phenacyl-2-phenylpropanamide is C[C@H](C(=O)N(C)CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-N-phenacyl-2-phenylpropanamide?
The InChIKey is YDSWIKZEOLEIKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-N-phenacyl-2-phenylpropanamide?
(2S)-N-methyl-N-phenacyl-2-phenylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-phenacyl-2-phenylpropanamide is sourced from PubChem (CID 78324200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).