2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid

C20H17NO4 — CID 66661015

IUPAC2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid
SMILESCc1ccc2cccc(C(=O)Nc3cccc(OCC(=O)O)c3)c2c1
InChIInChI=1S/C20H17NO4/c1-13-8-9-14-4-2-7-17(18(14)10-13)20(24)21-15-5-3-6-16(11-15)25-12-19(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyLXMUFFKTCNXQGL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.86
Rot. Bonds5

About 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid

2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid (PubChem CID 66661015) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid
PubChem CID66661015
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid
SMILESCc1ccc2cccc(C(=O)Nc3cccc(OCC(=O)O)c3)c2c1
InChIInChI=1S/C20H17NO4/c1-13-8-9-14-4-2-7-17(18(14)10-13)20(24)21-15-5-3-6-16(11-15)25-12-19(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyLXMUFFKTCNXQGL-UHFFFAOYSA-N
XLogP3.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[[6-(1-hydroxyhexyl)naphthalene-1-carbonyl]amino]phenoxy]acetic acid
CID 56596412
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-methoxy-5-methylbenzamide
CID 55901703
2-[3-[(3-butylquinoline-8-carbonyl)amino]phenoxy]acetic acid
CID 56596415
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid (CID 66661015) is 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid is Cc1ccc2cccc(C(=O)Nc3cccc(OCC(=O)O)c3)c2c1.
What is the InChIKey of 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is LXMUFFKTCNXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-8-9-14-4-2-7-17(18(14)10-13)20(24)21-15-5-3-6-16(11-15)25-12-19(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 66661015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).