N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide

C23H31N3O2 — CID 177380565

IUPACN-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C23H31N3O2/c1-3-11-19(12-4-2)22(27)24-21(17-18-13-7-5-8-14-18)23(28)26-25-20-15-9-6-10-16-20/h5-10,13-16,19,21,25H,3-4,11-12,17H2,1-2H3,(H,24,27)(H,26,28)/t21-/m0/s1
InChIKeyPTFFMSKYSLJXBT-NRFANRHFSA-N
MW381.52 g/mol
LogP4.07
Rot. Bonds11

About N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide

N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide (PubChem CID 177380565) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide
PubChem CID177380565
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C23H31N3O2/c1-3-11-19(12-4-2)22(27)24-21(17-18-13-7-5-8-14-18)23(28)26-25-20-15-9-6-10-16-20/h5-10,13-16,19,21,25H,3-4,11-12,17H2,1-2H3,(H,24,27)(H,26,28)/t21-/m0/s1
InChIKeyPTFFMSKYSLJXBT-NRFANRHFSA-N
XLogP4.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]nonadecanoic acid
CID 23211096
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]piperidine-1-carboxamide
CID 118731992
3-benzylhexan-2-one
CID 12816361
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-2-(sulfanylmethyl)butanamide
CID 87988780
(2S)-2-[2-(aminomethyl)pentanoylamino]-4-phenylbutanoic acid
CID 104983409
2-[(2-benzyl-3-methylsulfanylpropanoyl)amino]pentanethioic S-acid
CID 151724625
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide (CID 177380565) is N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide is CCCC(CCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide?
The InChIKey is PTFFMSKYSLJXBT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-11-19(12-4-2)22(27)24-21(17-18-13-7-5-8-14-18)23(28)26-25-20-15-9-6-10-16-20/h5-10,13-16,19,21,25H,3-4,11-12,17H2,1-2H3,(H,24,27)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide?
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide has a molecular weight of 381.52 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]-2-propylpentanamide is sourced from PubChem (CID 177380565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).