N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide

C14H25NO2 — CID 106251975

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C14H25NO2/c1-3-14(4-2,9-16)8-15-13(17)12-6-10-5-11(10)7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyVNGBRCNHJQKMKL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.95
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106251975) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106251975
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C14H25NO2/c1-3-14(4-2,9-16)8-15-13(17)12-6-10-5-11(10)7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyVNGBRCNHJQKMKL-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(bicyclo[3.1.0]hexane-3-carbonylamino)methyl]-2-ethylbutanoic acid
CID 113308504
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
3-[[2-ethyl-2-(hydroxymethyl)butyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106252407
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
CID 114164742
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814
N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114126470
1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
CID 106252537
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 106251975) is N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide is CCC(CC)(CO)CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is VNGBRCNHJQKMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-14(4-2,9-16)8-15-13(17)12-6-10-5-11(10)7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106251975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).