N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide

C23H30N2O4 — CID 4930636

IUPACN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H30N2O4/c1-5-6-7-8-15-29-19-11-9-18(10-12-19)23(26)25-24-17(2)21-14-13-20(27-3)16-22(21)28-4/h9-14,16H,5-8,15H2,1-4H3,(H,25,26)
InChIKeyIYULVSAVUAHYBL-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.82
Rot. Bonds11

About N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide (PubChem CID 4930636) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
PubChem CID4930636
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H30N2O4/c1-5-6-7-8-15-29-19-11-9-18(10-12-19)23(26)25-24-17(2)21-14-13-20(27-3)16-22(21)28-4/h9-14,16H,5-8,15H2,1-4H3,(H,25,26)
InChIKeyIYULVSAVUAHYBL-UHFFFAOYSA-N
XLogP4.82
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[1-(4-ethylphenyl)ethylideneamino]-2,4-dimethoxybenzamide
CID 4224310
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide (CID 4930636) is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide?
The InChIKey is IYULVSAVUAHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-6-7-8-15-29-19-11-9-18(10-12-19)23(26)25-24-17(2)21-14-13-20(27-3)16-22(21)28-4/h9-14,16H,5-8,15H2,1-4H3,(H,25,26).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide?
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide has a molecular weight of 398.50 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide is sourced from PubChem (CID 4930636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).