acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane

C18H37NO3 — CID 142354533

IUPACacetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane
SMILESC.CC.CC(CC=O)C(=O)N(C)CC1CCCCC1.CC=O
InChIInChI=1S/C13H23NO2.C2H4O.C2H6.CH4/c1-11(8-9-15)13(16)14(2)10-12-6-4-3-5-7-12;1-2-3;1-2;/h9,11-12H,3-8,10H2,1-2H3;2H,1H3;1-2H3;1H4
InChIKeyDEGBNWFTRFOGQM-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.12
Rot. Bonds5

About acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane

acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane (PubChem CID 142354533) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane.

Molecular Properties

Compound Nameacetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane
PubChem CID142354533
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Nameacetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane
SMILESC.CC.CC(CC=O)C(=O)N(C)CC1CCCCC1.CC=O
InChIInChI=1S/C13H23NO2.C2H4O.C2H6.CH4/c1-11(8-9-15)13(16)14(2)10-12-6-4-3-5-7-12;1-2-3;1-2;/h9,11-12H,3-8,10H2,1-2H3;2H,1H3;1-2H3;1H4
InChIKeyDEGBNWFTRFOGQM-UHFFFAOYSA-N
XLogP4.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane?
The IUPAC name of acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane (CID 142354533) is acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane.
What is the SMILES notation for acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane?
The canonical SMILES for acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane is C.CC.CC(CC=O)C(=O)N(C)CC1CCCCC1.CC=O.
What is the InChIKey of acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane?
The InChIKey is DEGBNWFTRFOGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C2H4O.C2H6.CH4/c1-11(8-9-15)13(16)14(2)10-12-6-4-3-5-7-12;1-2-3;1-2;/h9,11-12H,3-8,10H2,1-2H3;2H,1H3;1-2H3;1H4.
What are the key properties of acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane?
acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane has a molecular weight of 315.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane is sourced from PubChem (CID 142354533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).