N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide

C13H23NO2 — CID 102978249

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2)9-11(13)12(16)14(7-4-8-15)10-5-3-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeyOXVBOOPWHQHWAK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 102978249) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID102978249
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2)9-11(13)12(16)14(7-4-8-15)10-5-3-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeyOXVBOOPWHQHWAK-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-cyclobutyl-3,3-difluoro-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 114094525
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-cyclobutyl-N-(3-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 102866892
(2R)-N-cyclobutyl-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 102866742
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 102861862
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102861598

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 102978249) is N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is OXVBOOPWHQHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)9-11(13)12(16)14(7-4-8-15)10-5-3-6-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 102978249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).