2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide

C15H26N2O2 — CID 102870226

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C15H26N2O2/c1-4-15(5-2,6-3)16-14(19)12-17(10-11-18)13-8-7-9-13/h1,13,18H,5-12H2,2-3H3,(H,16,19)
InChIKeyYMTDXOXMKHTSJI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.14
Rot. Bonds8

About 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 102870226) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID102870226
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C15H26N2O2/c1-4-15(5-2,6-3)16-14(19)12-17(10-11-18)13-8-7-9-13/h1,13,18H,5-12H2,2-3H3,(H,16,19)
InChIKeyYMTDXOXMKHTSJI-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 102677025
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677016
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-dipropylacetamide
CID 62015247
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
CID 143903152
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363
ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
CID 102863943

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 102870226) is 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is YMTDXOXMKHTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-15(5-2,6-3)16-14(19)12-17(10-11-18)13-8-7-9-13/h1,13,18H,5-12H2,2-3H3,(H,16,19).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 266.38 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 102870226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).