4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid

C16H15NO6 — CID 142641728

IUPAC4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid
SMILESCOc1cc(C(=O)O)c2c(C(=O)O)cccc2c1CNC(C)=O
InChIInChI=1S/C16H15NO6/c1-8(18)17-7-12-9-4-3-5-10(15(19)20)14(9)11(16(21)22)6-13(12)23-2/h3-6H,7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyNPEATSBFHOUIEP-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.88
Rot. Bonds5

About 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid

4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid (PubChem CID 142641728) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid
PubChem CID142641728
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid
SMILESCOc1cc(C(=O)O)c2c(C(=O)O)cccc2c1CNC(C)=O
InChIInChI=1S/C16H15NO6/c1-8(18)17-7-12-9-4-3-5-10(15(19)20)14(9)11(16(21)22)6-13(12)23-2/h3-6H,7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyNPEATSBFHOUIEP-UHFFFAOYSA-N
XLogP1.88
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
CID 70366447
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
N-[(2,5-dihydroxy-1,3-dioxobenzo[de]isoquinolin-6-yl)methyl]acetamide
CID 22623905
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
3-amino-2-methoxybenzoic acid
CID 19849158
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid?
The IUPAC name of 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid (CID 142641728) is 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid is COc1cc(C(=O)O)c2c(C(=O)O)cccc2c1CNC(C)=O.
What is the InChIKey of 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid?
The InChIKey is NPEATSBFHOUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-8(18)17-7-12-9-4-3-5-10(15(19)20)14(9)11(16(21)22)6-13(12)23-2/h3-6H,7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid?
4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 142641728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).