N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide

C12H21NO3 — CID 111596007

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO3/c1-4-13(9-12(2,3)15)11(14)10-7-5-6-8-16-10/h7,15H,4-6,8-9H2,1-3H3
InChIKeyGGWHDYGZTULDGF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111596007) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111596007
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO3/c1-4-13(9-12(2,3)15)11(14)10-7-5-6-8-16-10/h7,15H,4-6,8-9H2,1-3H3
InChIKeyGGWHDYGZTULDGF-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 71925393
3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
(2Z)-2-(2-methylpropylidene)-4,5-di(propan-2-yl)morpholin-3-one
CID 57579832
2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one
CID 175699802
3,4-dihydro-2H-pyran-6-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 71915918
3,4-dihydro-2H-pyran-6-yl-(3,5-dimethylmorpholin-4-yl)methanone
CID 71925422
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
3,4-dihydro-2H-pyran-6-yl-(3-methylmorpholin-4-yl)methanone
CID 71926676
3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 71926677
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687
N-(Cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970872
N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 95934942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 111596007) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCN(CC(C)(C)O)C(=O)C1=CCCCO1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is GGWHDYGZTULDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-13(9-12(2,3)15)11(14)10-7-5-6-8-16-10/h7,15H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111596007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).