1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

C21H20N2O5 — CID 3617184

IUPAC1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc3ccccc3c2O)c(OC)c1OC
InChIInChI=1S/C21H20N2O5/c1-26-17-11-9-14(19(27-2)20(17)28-3)12-22-23-21(25)16-10-8-13-6-4-5-7-15(13)18(16)24/h4-12,24H,1-3H3,(H,23,25)
InChIKeyFYXHYGWGWKWRHG-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.34
Rot. Bonds6

About 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 3617184) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID3617184
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc3ccccc3c2O)c(OC)c1OC
InChIInChI=1S/C21H20N2O5/c1-26-17-11-9-14(19(27-2)20(17)28-3)12-22-23-21(25)16-10-8-13-6-4-5-7-15(13)18(16)24/h4-12,24H,1-3H3,(H,23,25)
InChIKeyFYXHYGWGWKWRHG-UHFFFAOYSA-N
XLogP3.34
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
CID 847605
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6034382

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (CID 3617184) is 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is COc1ccc(C=NNC(=O)c2ccc3ccccc3c2O)c(OC)c1OC.
What is the InChIKey of 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is FYXHYGWGWKWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-17-11-9-14(19(27-2)20(17)28-3)12-22-23-21(25)16-10-8-13-6-4-5-7-15(13)18(16)24/h4-12,24H,1-3H3,(H,23,25).
What are the key properties of 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 3617184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).