2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid

C20H21NO4 — CID 119224830

IUPAC2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCCc2ccccc21
InChIInChI=1S/C20H21NO4/c1-20(11-5-7-14-6-2-3-10-17(14)20)19(24)21-15-8-4-9-16(12-15)25-13-18(22)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyJTTHXZOIEAVQRA-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.38
Rot. Bonds5

About 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid

2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119224830) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
PubChem CID119224830
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCCc2ccccc21
InChIInChI=1S/C20H21NO4/c1-20(11-5-7-14-6-2-3-10-17(14)20)19(24)21-15-8-4-9-16(12-15)25-13-18(22)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyJTTHXZOIEAVQRA-UHFFFAOYSA-N
XLogP3.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
2-[3-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]phenoxy]acetic acid
CID 122107685
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide
CID 134807526
2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 136574677
trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390965
2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134807776
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110929038
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid (CID 119224830) is 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid is CC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCCc2ccccc21.
What is the InChIKey of 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JTTHXZOIEAVQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-20(11-5-7-14-6-2-3-10-17(14)20)19(24)21-15-8-4-9-16(12-15)25-13-18(22)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119224830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).