2-[butanoyl(methyl)amino]ethyl butanoate

C11H21NO3 — CID 91712859

IUPAC2-[butanoyl(methyl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C)C(=O)CCC
InChIInChI=1S/C11H21NO3/c1-4-6-10(13)12(3)8-9-15-11(14)7-5-2/h4-9H2,1-3H3
InChIKeyAPPZZKXATFKKAP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds7

About 2-[butanoyl(methyl)amino]ethyl butanoate

2-[butanoyl(methyl)amino]ethyl butanoate (PubChem CID 91712859) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[butanoyl(methyl)amino]ethyl butanoate.

Molecular Properties

Compound Name2-[butanoyl(methyl)amino]ethyl butanoate
PubChem CID91712859
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[butanoyl(methyl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C)C(=O)CCC
InChIInChI=1S/C11H21NO3/c1-4-6-10(13)12(3)8-9-15-11(14)7-5-2/h4-9H2,1-3H3
InChIKeyAPPZZKXATFKKAP-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl butylacetylaminopropionate
CID 104150
Propyl N,N-diethylsuccinamate
CID 79913
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
Ethyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododec-10-yl)butanoate
CID 9550559
2-(4-Butanoylpiperazinyl)ethyl butanoate
CID 9881903
Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
2-(2-Oxopyrrolidin-1-yl)ethyl acetate
CID 20077594
N-(b-butoxyethyl)pyrrolidone
CID 129808275
2-(2,2,3,3,4,4,4-Heptafluoro-N-methylbutanamido)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737614

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(methyl)amino]ethyl butanoate?
The IUPAC name of 2-[butanoyl(methyl)amino]ethyl butanoate (CID 91712859) is 2-[butanoyl(methyl)amino]ethyl butanoate.
What is the SMILES notation for 2-[butanoyl(methyl)amino]ethyl butanoate?
The canonical SMILES for 2-[butanoyl(methyl)amino]ethyl butanoate is CCCC(=O)OCCN(C)C(=O)CCC.
What is the InChIKey of 2-[butanoyl(methyl)amino]ethyl butanoate?
The InChIKey is APPZZKXATFKKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-10(13)12(3)8-9-15-11(14)7-5-2/h4-9H2,1-3H3.
What are the key properties of 2-[butanoyl(methyl)amino]ethyl butanoate?
2-[butanoyl(methyl)amino]ethyl butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(methyl)amino]ethyl butanoate is sourced from PubChem (CID 91712859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).