ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane

C17H29NO2 — CID 176553137

IUPACethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
SMILESCC.CCC.Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO2.C3H8.C2H6/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13;1-3-2;1-2/h2-5H,6-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyPYIUKSBLJFLRRK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.91
Rot. Bonds1

About ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane

ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane (PubChem CID 176553137) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
PubChem CID176553137
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
SMILESCC.CCC.Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO2.C3H8.C2H6/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13;1-3-2;1-2/h2-5H,6-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyPYIUKSBLJFLRRK-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane?
The IUPAC name of ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane (CID 176553137) is ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane.
What is the SMILES notation for ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane?
The canonical SMILES for ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane is CC.CCC.Cc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane?
The InChIKey is PYIUKSBLJFLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C3H8.C2H6/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13;1-3-2;1-2/h2-5H,6-9H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane?
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane has a molecular weight of 279.42 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane is sourced from PubChem (CID 176553137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).