N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide

C19H26N4O2 — CID 124777042

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H26N4O2/c1-14(2)19(3,13-20)21-17(24)12-22(4)16-10-11-23(18(16)25)15-8-6-5-7-9-15/h5-9,14,16H,10-12H2,1-4H3,(H,21,24)/t16-,19-/m0/s1
InChIKeyJVFWGFQRSALYTJ-LPHOPBHVSA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds6

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide (PubChem CID 124777042) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide
PubChem CID124777042
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H26N4O2/c1-14(2)19(3,13-20)21-17(24)12-22(4)16-10-11-23(18(16)25)15-8-6-5-7-9-15/h5-9,14,16H,10-12H2,1-4H3,(H,21,24)/t16-,19-/m0/s1
InChIKeyJVFWGFQRSALYTJ-LPHOPBHVSA-N
XLogP1.78
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51728153
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
4-[(1S)-1-hydroxy-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]benzonitrile
CID 124725716
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 78790067
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 8841518
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide (CID 124777042) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide?
The InChIKey is JVFWGFQRSALYTJ-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)19(3,13-20)21-17(24)12-22(4)16-10-11-23(18(16)25)15-8-6-5-7-9-15/h5-9,14,16H,10-12H2,1-4H3,(H,21,24)/t16-,19-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 124777042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).