N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

C23H29N3O5 — CID 55347458

IUPACN-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NNC(=O)C(NC(=O)c2ccccc2)C(C)CC)cc1OC
InChIInChI=1S/C23H29N3O5/c1-5-15(3)20(24-21(27)16-10-8-7-9-11-16)23(29)26-25-22(28)17-12-13-18(31-6-2)19(14-17)30-4/h7-15,20H,5-6H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyYKJYCSAYELJVJE-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.70
Rot. Bonds9

About N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55347458) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55347458
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NNC(=O)C(NC(=O)c2ccccc2)C(C)CC)cc1OC
InChIInChI=1S/C23H29N3O5/c1-5-15(3)20(24-21(27)16-10-8-7-9-11-16)23(29)26-25-22(28)17-12-13-18(31-6-2)19(14-17)30-4/h7-15,20H,5-6H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyYKJYCSAYELJVJE-UHFFFAOYSA-N
XLogP2.70
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(2R)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 32810239
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643345
N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24636072
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42910219
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
CID 78585454
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55347458) is N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is CCOc1ccc(C(=O)NNC(=O)C(NC(=O)c2ccccc2)C(C)CC)cc1OC.
What is the InChIKey of N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is YKJYCSAYELJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-5-15(3)20(24-21(27)16-10-8-7-9-11-16)23(29)26-25-22(28)17-12-13-18(31-6-2)19(14-17)30-4/h7-15,20H,5-6H2,1-4H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55347458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).