N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide

C19H22N2O4 — CID 6180657

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-5-25-16-9-6-14(7-10-16)19(22)21-20-13(2)15-8-11-17(23-3)18(12-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-
InChIKeyLNYQEZMJQIVXKN-MOSHPQCFSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds7

About N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide (PubChem CID 6180657) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
PubChem CID6180657
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-5-25-16-9-6-14(7-10-16)19(22)21-20-13(2)15-8-11-17(23-3)18(12-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-
InChIKeyLNYQEZMJQIVXKN-MOSHPQCFSA-N
XLogP3.26
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6273602

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide (CID 6180657) is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide?
The InChIKey is LNYQEZMJQIVXKN-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-25-16-9-6-14(7-10-16)19(22)21-20-13(2)15-8-11-17(23-3)18(12-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 6180657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).