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

C17H19NO4 — CID 7812083

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C17H19NO4/c1-11(2)9-18-16(20)10-22-17(21)14-7-12-5-3-4-6-13(12)8-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyWFNDLRPCZHHDII-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.47
Rot. Bonds5

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

[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 7812083) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID7812083
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C17H19NO4/c1-11(2)9-18-16(20)10-22-17(21)14-7-12-5-3-4-6-13(12)8-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyWFNDLRPCZHHDII-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891534
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7485849
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2098297
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
[2-(2-methylpropylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969697
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
ethyl 2-[[2-(3-hydroxynaphthalene-2-carbonyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 4025513
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891483

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 7812083) is [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CC(C)CNC(=O)COC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is WFNDLRPCZHHDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(2)9-18-16(20)10-22-17(21)14-7-12-5-3-4-6-13(12)8-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7812083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).