N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide

C23H29N3O5 — CID 4945641

IUPACN-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C23H29N3O5/c1-4-30-18-11-9-17(10-12-18)24-21(27)13-14-22(28)25-26-23(29)19-7-5-6-8-20(19)31-15-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyKYAWEZCCLVSWNI-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.30
Rot. Bonds10

About N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide

N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 4945641) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID4945641
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C23H29N3O5/c1-4-30-18-11-9-17(10-12-18)24-21(27)13-14-22(28)25-26-23(29)19-7-5-6-8-20(19)31-15-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyKYAWEZCCLVSWNI-UHFFFAOYSA-N
XLogP3.30
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.30
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

N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17357941
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233576
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide (CID 4945641) is N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide is CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCC(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is KYAWEZCCLVSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-30-18-11-9-17(10-12-18)24-21(27)13-14-22(28)25-26-23(29)19-7-5-6-8-20(19)31-15-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 427.50 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4945641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).