N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide

C17H17N3O5 — CID 26533874

IUPACN'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-25-15-8-5-12(6-9-15)7-10-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyPLSQENGZCZAIQN-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.00
Rot. Bonds6

About N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide

N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide (PubChem CID 26533874) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
PubChem CID26533874
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-25-15-8-5-12(6-9-15)7-10-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyPLSQENGZCZAIQN-UHFFFAOYSA-N
XLogP2.00
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide 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'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555564
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 9255540
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
CID 75388561

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide (CID 26533874) is N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide is COc1ccc(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is PLSQENGZCZAIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-15-8-5-12(6-9-15)7-10-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide?
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 26533874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).