ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide

C14H27NO3 — CID 142896679

IUPACethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide
SMILESCC.CC(C)(O)CNC(=O)/C=C/C1CCOCC1
InChIInChI=1S/C12H21NO3.C2H6/c1-12(2,15)9-13-11(14)4-3-10-5-7-16-8-6-10;1-2/h3-4,10,15H,5-9H2,1-2H3,(H,13,14);1-2H3/b4-3+;
InChIKeyUVAFTFCWJNNCPW-BJILWQEISA-N
MW257.37 g/mol
LogP1.88
Rot. Bonds4

About ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide

ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide (PubChem CID 142896679) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Nameethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide
PubChem CID142896679
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide
SMILESCC.CC(C)(O)CNC(=O)/C=C/C1CCOCC1
InChIInChI=1S/C12H21NO3.C2H6/c1-12(2,15)9-13-11(14)4-3-10-5-7-16-8-6-10;1-2/h3-4,10,15H,5-9H2,1-2H3,(H,13,14);1-2H3/b4-3+;
InChIKeyUVAFTFCWJNNCPW-BJILWQEISA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)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

(E)-N-(2-hydroxy-2-methylpropyl)-3-(4-propan-2-yloxan-4-yl)prop-2-enamide
CID 57797544
N-(2-hydroxy-2-methylpropyl)-3-(4-methyloxan-4-yl)prop-2-enamide
CID 68829275
(E)-N-[(4-hydroxyoxan-4-yl)methyl]but-2-enamide
CID 79039427
(2E,4E)-7-methyl-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991036
(2E,4E)-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991124
(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4-dienamide
CID 88991129
(2E,4E)-N-(oxan-4-ylmethyl)nona-2,4,8-trienamide
CID 88991133
(E)-N-(2-hydroxy-2-methylpropyl)-3-(4-methyloxan-4-yl)prop-2-enamide
CID 89159661
(E)-3-(2-methylcyclopropyl)-N-(oxan-4-ylmethyl)prop-2-enamide
CID 89749558
(E)-N-(tetrahydropyran-4-ylmethyl)-7-methoxy-2-heptenamide
CID 89749569
(2E)-N-(oxan-4-ylmethyl)hepta-2,6-dienamide
CID 89749588
(2E)-N-(oxan-4-ylmethyl)nona-2,8-dienamide
CID 89749603

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide?
The IUPAC name of ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide (CID 142896679) is ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide is CC.CC(C)(O)CNC(=O)/C=C/C1CCOCC1.
What is the InChIKey of ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide?
The InChIKey is UVAFTFCWJNNCPW-BJILWQEISA-N. The full InChI is InChI=1S/C12H21NO3.C2H6/c1-12(2,15)9-13-11(14)4-3-10-5-7-16-8-6-10;1-2/h3-4,10,15H,5-9H2,1-2H3,(H,13,14);1-2H3/b4-3+;.
What are the key properties of ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide?
ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide has a molecular weight of 257.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 142896679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).