N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide

C19H25N3O2 — CID 155534376

IUPACN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCC[C@H]1C#N)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15(19(24)22-13-7-11-17(22)14-20)21(2)18(23)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyGDNPDHOSCKVMAB-RDJZCZTQSA-N
MW327.43 g/mol
LogP2.37
Rot. Bonds6

About N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide

N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide (PubChem CID 155534376) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide
PubChem CID155534376
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCC[C@H]1C#N)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15(19(24)22-13-7-11-17(22)14-20)21(2)18(23)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyGDNPDHOSCKVMAB-RDJZCZTQSA-N
XLogP2.37
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide 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

1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 22563410
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
1-benzyl-1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 66776294
(2S)-1-[(2S)-2-anilino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonitrile
CID 150739989
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
N-[1-[(2S)-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 57340460
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
(2S)-1-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54428617
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
(2S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carbonitrile
CID 72697063
(2S)-1-[(2S)-2-amino-5-[bis(3-phenylprop-2-enyl)amino]pentanoyl]pyrrolidine-2-carbonitrile
CID 91001980

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide?
The IUPAC name of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide (CID 155534376) is N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide is C[C@@H](C(=O)N1CCC[C@H]1C#N)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide?
The InChIKey is GDNPDHOSCKVMAB-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(19(24)22-13-7-11-17(22)14-20)21(2)18(23)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide?
N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide has a molecular weight of 327.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 155534376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).