ethane;methylcyclobutane;N-(4-methylphenyl)formamide

C15H25NO — CID 143234755

IUPACethane;methylcyclobutane;N-(4-methylphenyl)formamide
SMILESCC.CC1CCC1.Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H9NO.C5H10.C2H6/c1-7-2-4-8(5-3-7)9-6-10;1-5-3-2-4-5;1-2/h2-6H,1H3,(H,9,10);5H,2-4H2,1H3;1-2H3
InChIKeyJRYZMFWTRCYNAM-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.40
Rot. Bonds2

About ethane;methylcyclobutane;N-(4-methylphenyl)formamide

ethane;methylcyclobutane;N-(4-methylphenyl)formamide (PubChem CID 143234755) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;methylcyclobutane;N-(4-methylphenyl)formamide.

Molecular Properties

Compound Nameethane;methylcyclobutane;N-(4-methylphenyl)formamide
PubChem CID143234755
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;methylcyclobutane;N-(4-methylphenyl)formamide
SMILESCC.CC1CCC1.Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H9NO.C5H10.C2H6/c1-7-2-4-8(5-3-7)9-6-10;1-5-3-2-4-5;1-2/h2-6H,1H3,(H,9,10);5H,2-4H2,1H3;1-2H3
InChIKeyJRYZMFWTRCYNAM-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;methylcyclobutane;N-(4-methylphenyl)formamide 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

Isoproturon
CID 36679
4-Methylacetanilide
CID 7684
N-(2,4-Dimethylphenyl)formamide
CID 92363
N-(4-Methylphenyl)urea
CID 12148
Formamide, N-(2-methylphenyl)-
CID 7202
2,N-Dimethylaniline
CID 69137
Monodesmethylisoproturon
CID 182167
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
Acetamide, N-(4-butylphenyl)-
CID 77227
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
N-Ethyl-p-toluidine
CID 61164
Benzenamine, N,3-dimethyl-
CID 69675

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclobutane;N-(4-methylphenyl)formamide?
The IUPAC name of ethane;methylcyclobutane;N-(4-methylphenyl)formamide (CID 143234755) is ethane;methylcyclobutane;N-(4-methylphenyl)formamide.
What is the SMILES notation for ethane;methylcyclobutane;N-(4-methylphenyl)formamide?
The canonical SMILES for ethane;methylcyclobutane;N-(4-methylphenyl)formamide is CC.CC1CCC1.Cc1ccc(NC=O)cc1.
What is the InChIKey of ethane;methylcyclobutane;N-(4-methylphenyl)formamide?
The InChIKey is JRYZMFWTRCYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C5H10.C2H6/c1-7-2-4-8(5-3-7)9-6-10;1-5-3-2-4-5;1-2/h2-6H,1H3,(H,9,10);5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;methylcyclobutane;N-(4-methylphenyl)formamide?
ethane;methylcyclobutane;N-(4-methylphenyl)formamide has a molecular weight of 235.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclobutane;N-(4-methylphenyl)formamide is sourced from PubChem (CID 143234755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).