(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide

C17H24N2O — CID 100971600

IUPAC(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@H](C#N)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-13(10-11-14-8-6-5-7-9-14)19-16(20)15(12-18)17(2,3)4/h5-9,13,15H,10-11H2,1-4H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyQPLWPYRSFCLKPQ-ZFWWWQNUSA-N
MW272.39 g/mol
LogP3.31
Rot. Bonds5

About (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide

(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide (PubChem CID 100971600) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide
PubChem CID100971600
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@H](C#N)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-13(10-11-14-8-6-5-7-9-14)19-16(20)15(12-18)17(2,3)4/h5-9,13,15H,10-11H2,1-4H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyQPLWPYRSFCLKPQ-ZFWWWQNUSA-N
XLogP3.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyano-3,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 100971597
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide (CID 100971600) is (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide is C[C@@H](CCc1ccccc1)NC(=O)[C@H](C#N)C(C)(C)C.
What is the InChIKey of (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The InChIKey is QPLWPYRSFCLKPQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(10-11-14-8-6-5-7-9-14)19-16(20)15(12-18)17(2,3)4/h5-9,13,15H,10-11H2,1-4H3,(H,19,20)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide?
(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide has a molecular weight of 272.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 100971600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).