(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide

C10H19NO2 — CID 130638177

IUPAC(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H19NO2/c1-4-9-8(6-5-7-13-9)10(12)11(2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyJDPRTGPUKPFNND-IUCAKERBSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide

(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide (PubChem CID 130638177) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
PubChem CID130638177
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H19NO2/c1-4-9-8(6-5-7-13-9)10(12)11(2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyJDPRTGPUKPFNND-IUCAKERBSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
(2R,3R)-2-ethyl-N-(6-methoxy-3-pyridinyl)-N-methyloxane-3-carboxamide
CID 129479274
(2R,3S)-N-[(3-cyanophenyl)methyl]-2-ethyl-N-methyloxane-3-carboxamide
CID 129492759
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066
4-[(2R,3R)-2-ethyloxane-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 129492439
4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 128995955
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
ethane;2-ethyl-3-methyloxane
CID 166536348

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide?
The IUPAC name of (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide (CID 130638177) is (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide is CC[C@@H]1OCCC[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide?
The InChIKey is JDPRTGPUKPFNND-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-8(6-5-7-13-9)10(12)11(2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide?
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide is sourced from PubChem (CID 130638177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).