3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide

C22H22N2O4 — CID 6180512

IUPAC3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C22H22N2O4/c1-14(15-5-6-17-12-19(26-2)9-7-16(17)11-15)23-24-22(25)18-8-10-20(27-3)21(13-18)28-4/h5-13H,1-4H3,(H,24,25)/b23-14-
InChIKeyYYGQONSDYAJVDG-UCQKPKSFSA-N
MW378.43 g/mol
LogP4.02
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide (PubChem CID 6180512) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
PubChem CID6180512
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C22H22N2O4/c1-14(15-5-6-17-12-19(26-2)9-7-16(17)11-15)23-24-22(25)18-8-10-20(27-3)21(13-18)28-4/h5-13H,1-4H3,(H,24,25)/b23-14-
InChIKeyYYGQONSDYAJVDG-UCQKPKSFSA-N
XLogP4.02
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.02
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-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
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
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide (CID 6180512) is 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide is COc1ccc2cc(/C(C)=N\NC(=O)c3ccc(OC)c(OC)c3)ccc2c1.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide?
The InChIKey is YYGQONSDYAJVDG-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(15-5-6-17-12-19(26-2)9-7-16(17)11-15)23-24-22(25)18-8-10-20(27-3)21(13-18)28-4/h5-13H,1-4H3,(H,24,25)/b23-14-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 6180512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).