(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide

C14H26N2O — CID 134557623

IUPAC(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
SMILESCNC/C=C/C(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15-3/h4-5,11-13,15H,6-10H2,1-3H3,(H,16,17)/b5-4+
InChIKeyDLPKWTJDBOCXQL-SNAWJCMRSA-N
MW238.38 g/mol
LogP2.09
Rot. Bonds5

About (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide

(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide (PubChem CID 134557623) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
PubChem CID134557623
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
SMILESCNC/C=C/C(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15-3/h4-5,11-13,15H,6-10H2,1-3H3,(H,16,17)/b5-4+
InChIKeyDLPKWTJDBOCXQL-SNAWJCMRSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-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

(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
CID 164736276
(E)-N-cyclopropylnon-2-enamide
CID 144516886
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
N-cyclopropylacetamide;1-methyl-4-propan-2-ylcyclohexane
CID 90040795
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
CID 134860935
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
N-methyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 62701981
4-(methylamino)but-2-enoyl chloride
CID 123775248

Frequently Asked Questions

What is the IUPAC name of (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide?
The IUPAC name of (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide (CID 134557623) is (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide.
What is the SMILES notation for (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide?
The canonical SMILES for (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide is CNC/C=C/C(=O)NC1CCC(C(C)C)CC1.
What is the InChIKey of (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide?
The InChIKey is DLPKWTJDBOCXQL-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15-3/h4-5,11-13,15H,6-10H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide?
(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide has a molecular weight of 238.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide is sourced from PubChem (CID 134557623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).