ethane;(3-ethylphenyl)-morpholin-4-ylmethanone

C17H29NO2 — CID 143725238

IUPACethane;(3-ethylphenyl)-morpholin-4-ylmethanone
SMILESCC.CC.CCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO2.2C2H6/c1-2-11-4-3-5-12(10-11)13(15)14-6-8-16-9-7-14;2*1-2/h3-5,10H,2,6-9H2,1H3;2*1-2H3
InChIKeyHKECCRNEOLVVNU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds2

About ethane;(3-ethylphenyl)-morpholin-4-ylmethanone

ethane;(3-ethylphenyl)-morpholin-4-ylmethanone (PubChem CID 143725238) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is ethane;(3-ethylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Nameethane;(3-ethylphenyl)-morpholin-4-ylmethanone
PubChem CID143725238
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameethane;(3-ethylphenyl)-morpholin-4-ylmethanone
SMILESCC.CC.CCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO2.2C2H6/c1-2-11-4-3-5-12(10-11)13(15)14-6-8-16-9-7-14;2*1-2/h3-5,10H,2,6-9H2,1H3;2*1-2H3
InChIKeyHKECCRNEOLVVNU-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(3-ethylphenyl)-morpholin-4-ylmethanone 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

azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
ethane;N-[1-[3-(morpholine-4-carbonyl)phenyl]propan-2-yl]acetamide
CID 142839545
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262

Frequently Asked Questions

What is the IUPAC name of ethane;(3-ethylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of ethane;(3-ethylphenyl)-morpholin-4-ylmethanone (CID 143725238) is ethane;(3-ethylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for ethane;(3-ethylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for ethane;(3-ethylphenyl)-morpholin-4-ylmethanone is CC.CC.CCc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of ethane;(3-ethylphenyl)-morpholin-4-ylmethanone?
The InChIKey is HKECCRNEOLVVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.2C2H6/c1-2-11-4-3-5-12(10-11)13(15)14-6-8-16-9-7-14;2*1-2/h3-5,10H,2,6-9H2,1H3;2*1-2H3.
What are the key properties of ethane;(3-ethylphenyl)-morpholin-4-ylmethanone?
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone has a molecular weight of 279.42 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-ethylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 143725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).