[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

C18H21NO5 — CID 8663640

IUPAC[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOCCCNC(=O)COC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C18H21NO5/c1-22-9-5-8-19-17(20)12-24-18(21)15-10-13-6-3-4-7-14(13)11-16(15)23-2/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYLVUBSIJDHUHKJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.16
Rot. Bonds8

About [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 8663640) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID8663640
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOCCCNC(=O)COC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C18H21NO5/c1-22-9-5-8-19-17(20)12-24-18(21)15-10-13-6-3-4-7-14(13)11-16(15)23-2/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYLVUBSIJDHUHKJ-UHFFFAOYSA-N
XLogP2.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452
[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504659
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135
[2-(4-iodoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2353398
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376958
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 8661698

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 8663640) is [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COCCCNC(=O)COC(=O)c1cc2ccccc2cc1OC.
What is the InChIKey of [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is YLVUBSIJDHUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-9-5-8-19-17(20)12-24-18(21)15-10-13-6-3-4-7-14(13)11-16(15)23-2/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 8663640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).