(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide

C18H21N3O2 — CID 6940527

IUPAC(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)[C@H](CC(=O)NN)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-16(10-8-13)20-18(23)15(12-17(22)21-19)11-14-5-3-2-4-6-14/h2-10,15H,11-12,19H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyCXSBGLQZGSUBOW-HNNXBMFYSA-N
MW311.39 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide

(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide (PubChem CID 6940527) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
PubChem CID6940527
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)[C@H](CC(=O)NN)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-16(10-8-13)20-18(23)15(12-17(22)21-19)11-14-5-3-2-4-6-14/h2-10,15H,11-12,19H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyCXSBGLQZGSUBOW-HNNXBMFYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
CID 6940528
(3S)-4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 761482
4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 2853882
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283
(3R)-4-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoate
CID 6940823
(3R)-3-benzyl-4-(4-methoxyanilino)-4-oxobutanoate
CID 6936206
4-[(2-benzyl-3-sulfanylpropanoyl)amino]benzamide
CID 19842346
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
CID 167593912
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide (CID 6940527) is (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)[C@H](CC(=O)NN)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is CXSBGLQZGSUBOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-9-16(10-8-13)20-18(23)15(12-17(22)21-19)11-14-5-3-2-4-6-14/h2-10,15H,11-12,19H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide?
(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 311.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 6940527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).