2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate

C20H37NO6 — CID 146564672

IUPAC2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
SMILESCCCC(=O)OCCN(CCOC(=O)CC(C)C)CCOC(=O)CC(C)C
InChIInChI=1S/C20H37NO6/c1-6-7-18(22)25-11-8-21(9-12-26-19(23)14-16(2)3)10-13-27-20(24)15-17(4)5/h16-17H,6-15H2,1-5H3
InChIKeyFQKMPPMEIFRAEQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.81
Rot. Bonds15

About 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate

2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate (PubChem CID 146564672) has the molecular formula C20H37NO6 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate.

Molecular Properties

Compound Name2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
PubChem CID146564672
Molecular FormulaC20H37NO6
Molecular Weight387.52 g/mol
Exact Mass387.26
IUPAC Name2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
SMILESCCCC(=O)OCCN(CCOC(=O)CC(C)C)CCOC(=O)CC(C)C
InChIInChI=1S/C20H37NO6/c1-6-7-18(22)25-11-8-21(9-12-26-19(23)14-16(2)3)10-13-27-20(24)15-17(4)5/h16-17H,6-15H2,1-5H3
InChIKeyFQKMPPMEIFRAEQ-UHFFFAOYSA-N
XLogP2.81
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
CID 175053259
2-[bis[2-(3-sulfanylbutanoyloxy)ethyl]amino]ethyl 3-sulfanylbutanoate
CID 137491943
2-butanoyloxyethyl butanoate;methane
CID 161018761
2-(diethylamino)ethyl pentanoate
CID 14795466
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-butanoyloxyethyl)amino]ethyl-(2-butanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
CID 10485447
nonyl 3-methylbutanoate
CID 5463914
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
methane;propyl butanoate
CID 157187060
2-[bis(2-chloroethyl)amino]ethyl hexanoate
CID 14580000
3-butanoyloxypropanoic acid;ethane
CID 159299960
4-[2-[bis[2-(3-carboxypropanoyloxy)ethyl]amino]ethoxy]-4-oxobutanoic acid
CID 59383186

Frequently Asked Questions

What is the IUPAC name of 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate?
The IUPAC name of 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate (CID 146564672) is 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate.
What is the SMILES notation for 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate?
The canonical SMILES for 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate is CCCC(=O)OCCN(CCOC(=O)CC(C)C)CCOC(=O)CC(C)C.
What is the InChIKey of 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate?
The InChIKey is FQKMPPMEIFRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO6/c1-6-7-18(22)25-11-8-21(9-12-26-19(23)14-16(2)3)10-13-27-20(24)15-17(4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate?
2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate has a molecular weight of 387.52 g/mol, XLogP of 2.81, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate is sourced from PubChem (CID 146564672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).