N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide

C11H21NO4 — CID 62213191

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCCO1
InChIInChI=1S/C11H21NO4/c1-12(7-9(13)8-15-2)11(14)10-5-3-4-6-16-10/h9-10,13H,3-8H2,1-2H3
InChIKeyXWMYQIDDPVHVJC-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide (PubChem CID 62213191) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
PubChem CID62213191
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCCO1
InChIInChI=1S/C11H21NO4/c1-12(7-9(13)8-15-2)11(14)10-5-3-4-6-16-10/h9-10,13H,3-8H2,1-2H3
InChIKeyXWMYQIDDPVHVJC-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
N-(2-amino-3-methoxypropyl)-N-methyloxolane-2-carboxamide
CID 63753656
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
N-(2-bromopropyl)-N-methyloxane-2-carboxamide
CID 80665099
(2S)-N-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-2-carboxamide
CID 99777601
(2S)-N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-2-carboxamide
CID 99777600
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide (CID 62213191) is N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide is COCC(O)CN(C)C(=O)C1CCCCO1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide?
The InChIKey is XWMYQIDDPVHVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-12(7-9(13)8-15-2)11(14)10-5-3-4-6-16-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide is sourced from PubChem (CID 62213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).