N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

C16H21N3O3 — CID 51195347

IUPACN-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O3/c1-10-3-5-12(6-4-10)14(17-11(2)20)9-15(21)18-19-16(22)13-7-8-13/h3-6,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyYHVMZPRUNOZJHA-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.12
Rot. Bonds5

About N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 51195347) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID51195347
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O3/c1-10-3-5-12(6-4-10)14(17-11(2)20)9-15(21)18-19-16(22)13-7-8-13/h3-6,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyYHVMZPRUNOZJHA-UHFFFAOYSA-N
XLogP1.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.12
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

(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
1-[3-acetamido-3-(4-methylphenyl)propanoyl]-N-butylpiperidine-4-carboxamide
CID 86985211
N-[3-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 134049284
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
CID 51166015

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 51195347) is N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)C1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is YHVMZPRUNOZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-3-5-12(6-4-10)14(17-11(2)20)9-15(21)18-19-16(22)13-7-8-13/h3-6,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 51195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).