2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide

C14H27NO3 — CID 136521957

IUPAC2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
SMILESCCC1CC(C(=O)NC(C)(C)C(C)(C)O)CCO1
InChIInChI=1S/C14H27NO3/c1-6-11-9-10(7-8-18-11)12(16)15-13(2,3)14(4,5)17/h10-11,17H,6-9H2,1-5H3,(H,15,16)
InChIKeyGORDBTNBPZPEND-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds4

About 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide

2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide (PubChem CID 136521957) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
PubChem CID136521957
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
SMILESCCC1CC(C(=O)NC(C)(C)C(C)(C)O)CCO1
InChIInChI=1S/C14H27NO3/c1-6-11-9-10(7-8-18-11)12(16)15-13(2,3)14(4,5)17/h10-11,17H,6-9H2,1-5H3,(H,15,16)
InChIKeyGORDBTNBPZPEND-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyloxan-4-yl)butan-1-one
CID 83047852
(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
CID 97309238
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
(2S,4S)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842218
(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842219
1-[(2S,4S)-2-ethyloxan-4-yl]-1,3-dimethylurea
CID 126729792
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino] 2-ethyloxane-4-carboxylate
CID 91402343
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801
N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021512
2-[tert-butyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 79268341

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide (CID 136521957) is 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide is CCC1CC(C(=O)NC(C)(C)C(C)(C)O)CCO1.
What is the InChIKey of 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The InChIKey is GORDBTNBPZPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-11-9-10(7-8-18-11)12(16)15-13(2,3)14(4,5)17/h10-11,17H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide?
2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide has a molecular weight of 257.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 136521957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).