1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C14H17NO4 — CID 79247834

IUPAC1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)(N(C)C=O)CCC2
InChIInChI=1S/C14H17NO4/c1-15(9-16)14(13(17)18)7-3-4-10-5-6-11(19-2)8-12(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyZLVQFWSPGARNEM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.40
Rot. Bonds4

About 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 79247834) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID79247834
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)(N(C)C=O)CCC2
InChIInChI=1S/C14H17NO4/c1-15(9-16)14(13(17)18)7-3-4-10-5-6-11(19-2)8-12(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyZLVQFWSPGARNEM-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 79247834) is 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is COc1ccc2c(c1)C(C(=O)O)(N(C)C=O)CCC2.
What is the InChIKey of 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is ZLVQFWSPGARNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(9-16)14(13(17)18)7-3-4-10-5-6-11(19-2)8-12(10)14/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 79247834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).