[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate

C19H23NO4 — CID 8596447

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-4-13(5-2)20-18(21)12-24-19(22)16-10-11-17(23-3)15-9-7-6-8-14(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyJGBXQYNMVRWHQE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.31
Rot. Bonds7

About [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8596447) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8596447
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-4-13(5-2)20-18(21)12-24-19(22)16-10-11-17(23-3)15-9-7-6-8-14(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyJGBXQYNMVRWHQE-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596815
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18201102
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596085
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-(4-cyanoanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596149
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 7887676
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596720
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate (CID 8596447) is [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate is CCC(CC)NC(=O)COC(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is JGBXQYNMVRWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-13(5-2)20-18(21)12-24-19(22)16-10-11-17(23-3)15-9-7-6-8-14(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,20,21).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8596447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).