N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide

C22H25N3O5 — CID 3657148

IUPACN-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C22H25N3O5/c1-3-30-18-11-9-17(10-12-18)23-20(26)14-15-22(28)25-24-21(27)13-8-16-6-4-5-7-19(16)29-2/h4-13H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAMMKHQAECPYMOD-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.67
Rot. Bonds9

About N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide

N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 3657148) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
PubChem CID3657148
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C22H25N3O5/c1-3-30-18-11-9-17(10-12-18)23-20(26)14-15-22(28)25-24-21(27)13-8-16-6-4-5-7-19(16)29-2/h4-13H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAMMKHQAECPYMOD-UHFFFAOYSA-N
XLogP2.67
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
N-(4-ethoxyphenyl)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6234826
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-ethoxy-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55349799
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 6235261
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
(E)-N-[(3-ethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17098369
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
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-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide (CID 3657148) is N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide is CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C=Cc2ccccc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is AMMKHQAECPYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-3-30-18-11-9-17(10-12-18)23-20(26)14-15-22(28)25-24-21(27)13-8-16-6-4-5-7-19(16)29-2/h4-13H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide?
N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 411.46 g/mol, XLogP of 2.67, 9 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-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3657148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).