2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide

C15H29NO2 — CID 115681303

IUPAC2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(18,4-2)12-16-14(17)11-13-9-7-5-6-8-10-13/h13,18H,3-12H2,1-2H3,(H,16,17)
InChIKeyJFQQVLOLPSYQKZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.01
Rot. Bonds6

About 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide

2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 115681303) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID115681303
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(18,4-2)12-16-14(17)11-13-9-7-5-6-8-10-13/h13,18H,3-12H2,1-2H3,(H,16,17)
InChIKeyJFQQVLOLPSYQKZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
2-cyclohexyloxy-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483333
2-(cyclopentylamino)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106565
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113826
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 103162007
2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
CID 90599459
2-cyclohexyl-N-octylacetamide
CID 3547359

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 115681303) is 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is JFQQVLOLPSYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-15(18,4-2)12-16-14(17)11-13-9-7-5-6-8-10-13/h13,18H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 255.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 115681303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).