N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide

C19H22N2O4 — CID 9461201

IUPACN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-5-25-16-8-6-14(7-9-16)13(2)20-21-19(22)15-10-17(23-3)12-18(11-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-
InChIKeyQNFSOUKDNDCOKC-MOSHPQCFSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds7

About N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide (PubChem CID 9461201) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
PubChem CID9461201
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-5-25-16-8-6-14(7-9-16)13(2)20-21-19(22)15-10-17(23-3)12-18(11-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-
InChIKeyQNFSOUKDNDCOKC-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-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
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
3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
CID 1018787
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6273602
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
2-[4-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9460657

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide (CID 9461201) is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide is CCOc1ccc(/C(C)=N\NC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is QNFSOUKDNDCOKC-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-25-16-8-6-14(7-9-16)13(2)20-21-19(22)15-10-17(23-3)12-18(11-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide 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-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9461201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).