N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide

C13H23NO — CID 130426855

IUPACN-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CC(C)C)CC1
InChIInChI=1S/C13H23NO/c1-4-13(15)14-12-7-5-11(6-8-12)9-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyULXPLTNQHBXIGH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.89
Rot. Bonds4

About N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide

N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide (PubChem CID 130426855) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
PubChem CID130426855
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CC(C)C)CC1
InChIInChI=1S/C13H23NO/c1-4-13(15)14-12-7-5-11(6-8-12)9-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyULXPLTNQHBXIGH-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide 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

N-(4-prop-2-enylcyclohexyl)prop-2-enamide
CID 144952978
2,2-dimethylpropane;N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 143679786
N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
CID 164736276
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
N-(4-aminocyclohexyl)prop-2-enamide;sulfane
CID 158384464
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131
N-cyclodecylprop-2-enamide
CID 18400354
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
4-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
CID 134244993

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide (CID 130426855) is N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(CC(C)C)CC1.
What is the InChIKey of N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide?
The InChIKey is ULXPLTNQHBXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-13(15)14-12-7-5-11(6-8-12)9-10(2)3/h4,10-12H,1,5-9H2,2-3H3,(H,14,15).
What are the key properties of N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide?
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide has a molecular weight of 209.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 130426855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).