4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C27H23N3O4 — CID 1354025

IUPAC4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C27H23N3O4/c1-17(31)29-20-13-11-19(12-14-20)28-16-23-21-8-4-3-7-18(21)15-22(26(23)32)27(33)30-24-9-5-6-10-25(24)34-2/h3-16,32H,1-2H3,(H,29,31)(H,30,33)/b28-16+
InChIKeyZWQULGQEMXZDOK-LQKURTRISA-N
MW453.50 g/mol
LogP5.52
Rot. Bonds6

About 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 1354025) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID1354025
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C27H23N3O4/c1-17(31)29-20-13-11-19(12-14-20)28-16-23-21-8-4-3-7-18(21)15-22(26(23)32)27(33)30-24-9-5-6-10-25(24)34-2/h3-16,32H,1-2H3,(H,29,31)(H,30,33)/b28-16+
InChIKeyZWQULGQEMXZDOK-LQKURTRISA-N
XLogP5.52
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 4172097
4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 168517737
4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 168538631
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
3-formyl-2-hydroxy-N-(2-methoxyphenyl)naphthalene-1-carboxamide
CID 21475494
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 135731631
5-chloro-2-ethyl-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708031
3-chloro-2-ethyl-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708009
5-chloro-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136707852
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 1354025) is 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc(NC(C)=O)cc2)c1O.
What is the InChIKey of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is ZWQULGQEMXZDOK-LQKURTRISA-N. The full InChI is InChI=1S/C27H23N3O4/c1-17(31)29-20-13-11-19(12-14-20)28-16-23-21-8-4-3-7-18(21)15-22(26(23)32)27(33)30-24-9-5-6-10-25(24)34-2/h3-16,32H,1-2H3,(H,29,31)(H,30,33)/b28-16+.
What are the key properties of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 1354025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).