2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate

C13H25NO4 — CID 176613675

IUPAC2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate
SMILESCCCN(CCC)C(=O)CCC(=O)OCCOC
InChIInChI=1S/C13H25NO4/c1-4-8-14(9-5-2)12(15)6-7-13(16)18-11-10-17-3/h4-11H2,1-3H3
InChIKeyQKCZXOOOOACDQG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds10

About 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate

2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate (PubChem CID 176613675) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate
PubChem CID176613675
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate
SMILESCCCN(CCC)C(=O)CCC(=O)OCCOC
InChIInChI=1S/C13H25NO4/c1-4-8-14(9-5-2)12(15)6-7-13(16)18-11-10-17-3/h4-11H2,1-3H3
InChIKeyQKCZXOOOOACDQG-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propyl N,N-diethylsuccinamate
CID 79913
4-[16-(3-Methoxycarbonyl-propionyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadec-7-yl]-4-oxo-butyric acid methyl ester
CID 3095270
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Methyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)butanoate
CID 889401
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
4-[13-(3-Ethoxycarbonyl-propionyl)-1,4,10-trioxa-7,13-diaza-cyclopentadec-7-yl]-4-oxo-butyric acid ethyl ester
CID 3839388
Diethyl 4,4'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(4-oxobutanoate)
CID 3095271
Ethyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododec-10-yl)butanoate
CID 9550559
Methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
CID 135021489
Propyl 4-(dimethylamino)-4-oxobutanoate
CID 245427
Methyl 4-(dipropylamino)-4-oxobutanoate
CID 245465
Ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate (CID 176613675) is 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate is CCCN(CCC)C(=O)CCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate?
The InChIKey is QKCZXOOOOACDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-8-14(9-5-2)12(15)6-7-13(16)18-11-10-17-3/h4-11H2,1-3H3.
What are the key properties of 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate?
2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate has a molecular weight of 259.35 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(dipropylamino)-4-oxobutanoate is sourced from PubChem (CID 176613675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).