N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide

C15H21N3O4 — CID 4789042

IUPACN-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NCCC(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10(2)22-13-6-4-12(5-7-13)15(21)18-17-14(20)8-9-16-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyPVWAJWAFWGUGII-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.76
Rot. Bonds6

About N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide

N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide (PubChem CID 4789042) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
PubChem CID4789042
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NCCC(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10(2)22-13-6-4-12(5-7-13)15(21)18-17-14(20)8-9-16-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyPVWAJWAFWGUGII-UHFFFAOYSA-N
XLogP0.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 18279573
N'-[3-(2-hydroxyphenyl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 17496431
2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539257
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4791195
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
1-(2-methylprop-2-enyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 8742220

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The IUPAC name of N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide (CID 4789042) is N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide is CC(=O)NCCC(=O)NNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The InChIKey is PVWAJWAFWGUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10(2)22-13-6-4-12(5-7-13)15(21)18-17-14(20)8-9-16-11(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide is sourced from PubChem (CID 4789042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).