2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide

C13H25NO3 — CID 164636501

IUPAC2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide
SMILESCCOC(C)(C)C(=O)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H25NO3/c1-4-17-13(2,3)12(15)14-8-7-11-6-5-9-16-10-11/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyDNCVUDLVUJKBQC-LLVKDONJSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds6

About 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide

2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide (PubChem CID 164636501) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide
PubChem CID164636501
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide
SMILESCCOC(C)(C)C(=O)NCC[C@H]1CCCOC1
InChIInChI=1S/C13H25NO3/c1-4-17-13(2,3)12(15)14-8-7-11-6-5-9-16-10-11/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyDNCVUDLVUJKBQC-LLVKDONJSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxy-2,2-dimethylpropyl)-2-methyloxane-2-carboxamide
CID 164632657
(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide
CID 164642557
2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 62357185
(2S,4S)-N-(2-fluoroethyl)-4-methyloxane-2-carboxamide
CID 130862927
N-[(3R,4S)-4,5,6-trimethyl-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;tungsten
CID 57828134
1-Oxa-4-azaspiro[5.5]undecan-3-one
CID 58300123
N-[(5R)-5,6-dimethyloxan-3-yl]acetamide
CID 60104744
2-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61627672
2-Propan-2-yl-5-oxa-8-azaspiro[3.5]nonan-7-one
CID 68067959
(2S)-N-ethyl-5-methyloxane-2-carboxamide
CID 68311103
2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide
CID 70910536
2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 89306487

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide (CID 164636501) is 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide is CCOC(C)(C)C(=O)NCC[C@H]1CCCOC1.
What is the InChIKey of 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide?
The InChIKey is DNCVUDLVUJKBQC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-17-13(2,3)12(15)14-8-7-11-6-5-9-16-10-11/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide?
2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]propanamide is sourced from PubChem (CID 164636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).