ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one

C21H38N2O2 — CID 91148614

IUPACethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one
SMILESCC.CC.Cc1ccccc1CC(C)N(C)CCN1CCOCC1=O
InChIInChI=1S/C17H26N2O2.2C2H6/c1-14-6-4-5-7-16(14)12-15(2)18(3)8-9-19-10-11-21-13-17(19)20;2*1-2/h4-7,15H,8-13H2,1-3H3;2*1-2H3
InChIKeyGRLVSGNHKXINLY-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.77
Rot. Bonds6

About ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one

ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one (PubChem CID 91148614) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one.

Molecular Properties

Compound Nameethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one
PubChem CID91148614
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Nameethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one
SMILESCC.CC.Cc1ccccc1CC(C)N(C)CCN1CCOCC1=O
InChIInChI=1S/C17H26N2O2.2C2H6/c1-14-6-4-5-7-16(14)12-15(2)18(3)8-9-19-10-11-21-13-17(19)20;2*1-2/h4-7,15H,8-13H2,1-3H3;2*1-2H3
InChIKeyGRLVSGNHKXINLY-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one 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

4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
(2S)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162660406
1-(4-Benzylpiperidin-1-yl)-2-ethoxyethanone
CID 2163066
2-(morpholin-4-yl)-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 2908498
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-piperidin-1-yl-acetamide
CID 14330351

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one?
The IUPAC name of ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one (CID 91148614) is ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one.
What is the SMILES notation for ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one?
The canonical SMILES for ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one is CC.CC.Cc1ccccc1CC(C)N(C)CCN1CCOCC1=O.
What is the InChIKey of ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one?
The InChIKey is GRLVSGNHKXINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.2C2H6/c1-14-6-4-5-7-16(14)12-15(2)18(3)8-9-19-10-11-21-13-17(19)20;2*1-2/h4-7,15H,8-13H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one?
ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one has a molecular weight of 350.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[methyl-[1-(2-methylphenyl)propan-2-yl]amino]ethyl]morpholin-3-one is sourced from PubChem (CID 91148614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).