N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide

C20H23N3O4 — CID 39756465

IUPACN-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-2-27-17-12-10-16(11-13-17)20(26)23-22-18(24)9-6-14-21-19(25)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyXDEVFZWNKCROPW-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.06
Rot. Bonds8

About N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide

N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide (PubChem CID 39756465) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
PubChem CID39756465
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-2-27-17-12-10-16(11-13-17)20(26)23-22-18(24)9-6-14-21-19(25)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyXDEVFZWNKCROPW-UHFFFAOYSA-N
XLogP2.06
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-decyl-4-ethoxybenzamide
CID 4123784
tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
CID 9471691
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide (CID 39756465) is N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide is CCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The InChIKey is XDEVFZWNKCROPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-17-12-10-16(11-13-17)20(26)23-22-18(24)9-6-14-21-19(25)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide is sourced from PubChem (CID 39756465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).