3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid

C16H17NO4 — CID 43089456

IUPAC3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid
SMILESCCNC(=O)C(C)Oc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-17-15(18)10(2)21-14-9-12-7-5-4-6-11(12)8-13(14)16(19)20/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLCCVCXHZBUYCAX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.44
Rot. Bonds5

About 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid

3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid (PubChem CID 43089456) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid
PubChem CID43089456
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid
SMILESCCNC(=O)C(C)Oc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-17-15(18)10(2)21-14-9-12-7-5-4-6-11(12)8-13(14)16(19)20/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLCCVCXHZBUYCAX-UHFFFAOYSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4282518
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CID 43143422
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CID 43113670
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849
4-[1-(ethylamino)-1-oxopropan-2-yl]oxy-3-methylbenzoic acid
CID 107673535
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid (CID 43089456) is 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid is CCNC(=O)C(C)Oc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid?
The InChIKey is LCCVCXHZBUYCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-17-15(18)10(2)21-14-9-12-7-5-4-6-11(12)8-13(14)16(19)20/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid?
3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 43089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).