ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate

C14H25NO4 — CID 102864575

IUPACethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate
SMILESCCOC(=O)C(C)(C)C(=O)CN(CCO)C1CCC1
InChIInChI=1S/C14H25NO4/c1-4-19-13(18)14(2,3)12(17)10-15(8-9-16)11-6-5-7-11/h11,16H,4-10H2,1-3H3
InChIKeyCZTXHTOTPQGKJC-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.99
Rot. Bonds8

About ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate

ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate (PubChem CID 102864575) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate
PubChem CID102864575
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate
SMILESCCOC(=O)C(C)(C)C(=O)CN(CCO)C1CCC1
InChIInChI=1S/C14H25NO4/c1-4-19-13(18)14(2,3)12(17)10-15(8-9-16)11-6-5-7-11/h11,16H,4-10H2,1-3H3
InChIKeyCZTXHTOTPQGKJC-UHFFFAOYSA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
CID 102863943
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
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2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-dipropylacetamide
CID 62015247
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
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ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
ethyl 2,2-dimethyl-4-[methyl(thiolan-3-yl)amino]-3-oxobutanoate
CID 113369715
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[cyclopropyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 60510071
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate?
The IUPAC name of ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate (CID 102864575) is ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate.
What is the SMILES notation for ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate?
The canonical SMILES for ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate is CCOC(=O)C(C)(C)C(=O)CN(CCO)C1CCC1.
What is the InChIKey of ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate?
The InChIKey is CZTXHTOTPQGKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-19-13(18)14(2,3)12(17)10-15(8-9-16)11-6-5-7-11/h11,16H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate?
ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate has a molecular weight of 271.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate is sourced from PubChem (CID 102864575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).