N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide

C21H24N4O5 — CID 4163114

IUPACN-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccc(NC(C)=O)cc1)NNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H24N4O5/c1-13(9-20(27)23-17-7-5-16(6-8-17)22-14(2)26)24-25-21(28)15-10-18(29-3)12-19(11-15)30-4/h5-8,10-12,24H,1,9H2,2-4H3,(H,22,26)(H,23,27)(H,25,28)
InChIKeySVLICQJNMQCVRW-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.44
Rot. Bonds9

About N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide

N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide (PubChem CID 4163114) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide
PubChem CID4163114
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccc(NC(C)=O)cc1)NNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H24N4O5/c1-13(9-20(27)23-17-7-5-16(6-8-17)22-14(2)26)24-25-21(28)15-10-18(29-3)12-19(11-15)30-4/h5-8,10-12,24H,1,9H2,2-4H3,(H,22,26)(H,23,27)(H,25,28)
InChIKeySVLICQJNMQCVRW-UHFFFAOYSA-N
XLogP2.44
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide (CID 4163114) is N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide is C=C(CC(=O)Nc1ccc(NC(C)=O)cc1)NNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide?
The InChIKey is SVLICQJNMQCVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-13(9-20(27)23-17-7-5-16(6-8-17)22-14(2)26)24-25-21(28)15-10-18(29-3)12-19(11-15)30-4/h5-8,10-12,24H,1,9H2,2-4H3,(H,22,26)(H,23,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide?
N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide has a molecular weight of 412.45 g/mol, XLogP of 2.44, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide is sourced from PubChem (CID 4163114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).