2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide

C15H25NO2 — CID 170398021

IUPAC2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide
SMILESC=C(CCC(C)=O)C(=O)NC1C(C)(C)CC1(C)C
InChIInChI=1S/C15H25NO2/c1-10(7-8-11(2)17)12(18)16-13-14(3,4)9-15(13,5)6/h13H,1,7-9H2,2-6H3,(H,16,18)
InChIKeyYEBDOIMBTJZEAW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds5

About 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide

2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide (PubChem CID 170398021) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide.

Molecular Properties

Compound Name2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide
PubChem CID170398021
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide
SMILESC=C(CCC(C)=O)C(=O)NC1C(C)(C)CC1(C)C
InChIInChI=1S/C15H25NO2/c1-10(7-8-11(2)17)12(18)16-13-14(3,4)9-15(13,5)6/h13H,1,7-9H2,2-6H3,(H,16,18)
InChIKeyYEBDOIMBTJZEAW-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide 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

1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2,2,4,4-tetramethylcyclobutyl)urea
CID 166980964
hexane-2,5-dione
CID 8035
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
5-(ethylamino)hex-5-en-2-one
CID 170972328
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
[hydroxy-[(1S)-1-hydroxy-2,2-dimethylcyclopropyl]methyl] 4-oxopentanoate
CID 67206068
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]pentane-1,4-dione
CID 108534561
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
N-hydroxy-2-methylidenepentanamide
CID 22256183
2-methylidene-7-oxooctanoic acid
CID 87625234
4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 177325924

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide?
The IUPAC name of 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide (CID 170398021) is 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide.
What is the SMILES notation for 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide?
The canonical SMILES for 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide is C=C(CCC(C)=O)C(=O)NC1C(C)(C)CC1(C)C.
What is the InChIKey of 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide?
The InChIKey is YEBDOIMBTJZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(7-8-11(2)17)12(18)16-13-14(3,4)9-15(13,5)6/h13H,1,7-9H2,2-6H3,(H,16,18).
What are the key properties of 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide?
2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide has a molecular weight of 251.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-oxo-N-(2,2,4,4-tetramethylcyclobutyl)hexanamide is sourced from PubChem (CID 170398021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).