ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide

C13H27NO2 — CID 143532977

IUPACethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide
SMILESCC.CCN(C)C(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO2.C2H6/c1-5-12(4)10(13)9-6-7-14-11(2,3)8-9;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeySIKOICYJSUGUAR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds2

About ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide

ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide (PubChem CID 143532977) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide
PubChem CID143532977
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide
SMILESCC.CCN(C)C(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO2.C2H6/c1-5-12(4)10(13)9-6-7-14-11(2,3)8-9;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeySIKOICYJSUGUAR-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-N-[(oxan-4-YL)methyl]pentanamide
CID 91915004
N-Methyl-N-[(oxan-4-YL)methyl]cyclopentanecarboxamide
CID 110752398
N,N-dipropyloxane-4-carboxamide
CID 51073126
[(4S)-4-methylazepan-1-yl]-(oxan-4-yl)methanone
CID 95020952
[(4R)-2,2-dimethyloxan-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 129624732
[(4S)-2,2-dimethyloxan-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 129624733
1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)carbonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131949449
N,2,2-trimethyloxane-4-carboxamide
CID 12296415
N,N-diethyl-2,2-dimethyloxane-4-carboxamide
CID 12296417
3-(2-Methoxyethyl)-1-methylpiperidin-2-one
CID 18952189
N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
CID 58033925
N-ethyl-N-methyloxane-4-carboxamide
CID 58376362

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide?
The IUPAC name of ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide (CID 143532977) is ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide.
What is the SMILES notation for ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide?
The canonical SMILES for ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide is CC.CCN(C)C(=O)C1CCOC(C)(C)C1.
What is the InChIKey of ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide?
The InChIKey is SIKOICYJSUGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C2H6/c1-5-12(4)10(13)9-6-7-14-11(2,3)8-9;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide?
ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide has a molecular weight of 229.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,2,2-trimethyloxane-4-carboxamide is sourced from PubChem (CID 143532977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).