N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide

C21H25N3O4 — CID 4791195

IUPACN-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-14(2)28-18-11-9-17(10-12-18)21(27)24-23-20(26)13-19(22-15(3)25)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFGZBRVQJSOSJJW-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.50
Rot. Bonds7

About N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide

N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide (PubChem CID 4791195) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
PubChem CID4791195
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-14(2)28-18-11-9-17(10-12-18)21(27)24-23-20(26)13-19(22-15(3)25)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFGZBRVQJSOSJJW-UHFFFAOYSA-N
XLogP2.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485
N-[(1S)-3-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9343396
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4789042
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide (CID 4791195) is N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
The InChIKey is FGZBRVQJSOSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)28-18-11-9-17(10-12-18)21(27)24-23-20(26)13-19(22-15(3)25)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide?
N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide is sourced from PubChem (CID 4791195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).