N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide

C12H23NO3 — CID 62213009

IUPACN-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCCCO1
InChIInChI=1S/C12H23NO3/c1-2-3-7-13(8-9-14)12(15)11-6-4-5-10-16-11/h11,14H,2-10H2,1H3
InChIKeyDILRYOMYYFCJRH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide

N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide (PubChem CID 62213009) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
PubChem CID62213009
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
SMILESCCCCN(CCO)C(=O)C1CCCCO1
InChIInChI=1S/C12H23NO3/c1-2-3-7-13(8-9-14)12(15)11-6-4-5-10-16-11/h11,14H,2-10H2,1H3
InChIKeyDILRYOMYYFCJRH-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 106612018
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944931
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
1-(oxan-2-yl)nonan-1-one
CID 114966896
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
N-(2-hydroxyethyl)-N-propan-2-yloxolane-2-carboxamide
CID 43573102

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide (CID 62213009) is N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide is CCCCN(CCO)C(=O)C1CCCCO1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide?
The InChIKey is DILRYOMYYFCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-7-13(8-9-14)12(15)11-6-4-5-10-16-11/h11,14H,2-10H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide?
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide is sourced from PubChem (CID 62213009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).