(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide

C14H16N2O3 — CID 98449804

IUPAC(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide
SMILESCOC[C@@H](C)NC(=O)[C@H](C#N)C(=O)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-10(9-19-2)16-14(18)12(8-15)13(17)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,16,18)/t10-,12-/m1/s1
InChIKeyWISXCADVAANQER-ZYHUDNBSSA-N
MW260.29 g/mol
LogP1.16
Rot. Bonds6

About (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide

(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide (PubChem CID 98449804) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide
PubChem CID98449804
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide
SMILESCOC[C@@H](C)NC(=O)[C@H](C#N)C(=O)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-10(9-19-2)16-14(18)12(8-15)13(17)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,16,18)/t10-,12-/m1/s1
InChIKeyWISXCADVAANQER-ZYHUDNBSSA-N
XLogP1.16
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-chlorophenyl)-2-cyano-N-[(2S)-1-methoxypropan-2-yl]-3-oxopropanamide
CID 98449789
(2S)-3-(4-bromophenyl)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxopropanamide
CID 98449780
(2S)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-(4-pyrrol-1-ylphenyl)propanamide
CID 98449834
methyl (2R)-2-cyano-3-oxo-3-phenylpropanoate
CID 98050501
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
N-(1-cyano-2-methoxyethyl)benzamide
CID 70426540
2-cyano-3-(4-fluorophenyl)-3-oxo-N-(1-phenylethyl)propanamide
CID 51086385
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide?
The IUPAC name of (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide (CID 98449804) is (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide is COC[C@@H](C)NC(=O)[C@H](C#N)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide?
The InChIKey is WISXCADVAANQER-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(9-19-2)16-14(18)12(8-15)13(17)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,16,18)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide?
(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide has a molecular weight of 260.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 98449804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).