N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide

C15H21N3O3 — CID 24637576

IUPACN-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21N3O3/c1-10(2)14(16-11(3)19)15(21)18-17-13(20)9-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyXJUCESZUYMGMSQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.54
Rot. Bonds5

About N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide

N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide (PubChem CID 24637576) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
PubChem CID24637576
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21N3O3/c1-10(2)14(16-11(3)19)15(21)18-17-13(20)9-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyXJUCESZUYMGMSQ-UHFFFAOYSA-N
XLogP0.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.54
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

N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 9469812
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
benzyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoate
CID 10981319
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
N-[3-methyl-1-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 17471674
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55936922
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
(2S)-2-acetamido-N-[(2S)-1-[(3,4-dihydroxy-1,5-diphenylpentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 54254999
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide (CID 24637576) is N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide is CC(=O)NC(C(=O)NNC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide?
The InChIKey is XJUCESZUYMGMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)14(16-11(3)19)15(21)18-17-13(20)9-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide?
N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide is sourced from PubChem (CID 24637576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).