2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid

C21H19NO4 — CID 138043891

IUPAC2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-22(13-15-6-10-19(11-7-15)26-14-20(23)24)21(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyCLCWVDCXOBZHHZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid

2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 138043891) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID138043891
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-22(13-15-6-10-19(11-7-15)26-14-20(23)24)21(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyCLCWVDCXOBZHHZ-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-[4-[[methyl-[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]phenoxy]acetic acid
CID 120538027
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 51114602
naphthalene;2-phenoxyacetic acid
CID 175275275
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018372
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457
2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
CID 120538082
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
6-[benzyl(methyl)carbamoyl]-3-(carboxymethoxy)-1-benzothiophene-2-carboxylic acid
CID 68919763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid (CID 138043891) is 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid is CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is CLCWVDCXOBZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-22(13-15-6-10-19(11-7-15)26-14-20(23)24)21(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 349.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 138043891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).