N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide

C21H20N2O4 — CID 126012683

IUPACN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccc(OC)cc23)cc1
InChIInChI=1S/C21H20N2O4/c1-25-16-8-5-15(6-9-16)21(24)23-22-13-19-18-12-17(26-2)10-4-14(18)7-11-20(19)27-3/h4-13H,1-3H3,(H,23,24)/b22-13+
InChIKeyHMLJOPYSJJDXOK-LPYMAVHISA-N
MW364.40 g/mol
LogP3.63
Rot. Bonds6

About N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 126012683) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
PubChem CID126012683
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccc(OC)cc23)cc1
InChIInChI=1S/C21H20N2O4/c1-25-16-8-5-15(6-9-16)21(24)23-22-13-19-18-12-17(26-2)10-4-14(18)7-11-20(19)27-3/h4-13H,1-3H3,(H,23,24)/b22-13+
InChIKeyHMLJOPYSJJDXOK-LPYMAVHISA-N
XLogP3.63
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.63
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-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 7275569
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
1-[(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-3-ethylthiourea
CID 5197013
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide (CID 126012683) is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccc(OC)cc23)cc1.
What is the InChIKey of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is HMLJOPYSJJDXOK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-16-8-5-15(6-9-16)21(24)23-22-13-19-18-12-17(26-2)10-4-14(18)7-11-20(19)27-3/h4-13H,1-3H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 364.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 126012683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).