(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide

C19H21N3O — CID 11771234

IUPAC(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyDPOJEFZKFIWUGN-ROUUACIJSA-N
MW307.40 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide

(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide (PubChem CID 11771234) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide
PubChem CID11771234
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyDPOJEFZKFIWUGN-ROUUACIJSA-N
XLogP2.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide (CID 11771234) is (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide is CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide?
The InChIKey is DPOJEFZKFIWUGN-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide?
(2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide has a molecular weight of 307.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]butanamide is sourced from PubChem (CID 11771234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).