[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C19H21NO4 — CID 2417959

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)NC1CCCCC1
InChIInChI=1S/C19H21NO4/c21-17-11-14-7-5-4-6-13(14)10-16(17)19(23)24-12-18(22)20-15-8-2-1-3-9-15/h4-7,10-11,15,21H,1-3,8-9,12H2,(H,20,22)
InChIKeyWDMXAERGQOVMDV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.15
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2417959) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2417959
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)NC1CCCCC1
InChIInChI=1S/C19H21NO4/c21-17-11-14-7-5-4-6-13(14)10-16(17)19(23)24-12-18(22)20-15-8-2-1-3-9-15/h4-7,10-11,15,21H,1-3,8-9,12H2,(H,20,22)
InChIKeyWDMXAERGQOVMDV-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Salmeterol Xinafoate
CID 56801
2-Naphthalenecarboxamide, 3-hydroxy-N-[3-(4-morpholinyl)propyl]-
CID 82414
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
2-[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
CID 4877005
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 4882544
2-[(2,6-Dihydroxy-4-{[3-(4-hydroxyphenyl)-2-(phenylformamido)propoxy]carbonyl}phenyl)carbonyl]-3-hydroxybenzoic acid
CID 5327950
N-cyclohexyl-3-hydroxy-2-naphthamide
CID 235837
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2347973

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2417959) is [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2cc1O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is WDMXAERGQOVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17-11-14-7-5-4-6-13(14)10-16(17)19(23)24-12-18(22)20-15-8-2-1-3-9-15/h4-7,10-11,15,21H,1-3,8-9,12H2,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2417959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).