N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide

C20H21N3O3 — CID 4552052

IUPACN-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=CC=Cc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-18-11-9-17(10-12-18)20(25)21-15-13-19(24)23-22-14-5-8-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,21,25)(H,23,24)
InChIKeyYHUIUDYTQVZJFN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide

N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide (PubChem CID 4552052) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide
PubChem CID4552052
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=CC=Cc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-18-11-9-17(10-12-18)20(25)21-15-13-19(24)23-22-14-5-8-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,21,25)(H,23,24)
InChIKeyYHUIUDYTQVZJFN-UHFFFAOYSA-N
XLogP2.63
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 135715603
4-methoxy-N-[3-[2-[(4-methylphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3970105
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
4-methoxy-N-[3-[2-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5005619
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
N-[3-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 3268350
1-[(4-methoxyphenyl)methyl]-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 9176276
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide (CID 4552052) is N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCC(=O)NN=CC=Cc2ccccc2)cc1.
What is the InChIKey of N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide?
The InChIKey is YHUIUDYTQVZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-18-11-9-17(10-12-18)20(25)21-15-13-19(24)23-22-14-5-8-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide?
N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide is sourced from PubChem (CID 4552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).