N,N-dibutyloxolane-2-carboxamide

C13H25NO2 — CID 3414196

IUPACN,N-dibutyloxolane-2-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-9-14(10-6-4-2)13(15)12-8-7-11-16-12/h12H,3-11H2,1-2H3
InChIKeyPTNGVWYDUAWHIN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds7

About N,N-dibutyloxolane-2-carboxamide

N,N-dibutyloxolane-2-carboxamide (PubChem CID 3414196) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N-dibutyloxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-dibutyloxolane-2-carboxamide
PubChem CID3414196
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN,N-dibutyloxolane-2-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-9-14(10-6-4-2)13(15)12-8-7-11-16-12/h12H,3-11H2,1-2H3
InChIKeyPTNGVWYDUAWHIN-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009
N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 106612018
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005644
N,N-bis(cyanomethyl)oxolane-2-carboxamide
CID 3626006

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyloxolane-2-carboxamide?
The IUPAC name of N,N-dibutyloxolane-2-carboxamide (CID 3414196) is N,N-dibutyloxolane-2-carboxamide.
What is the SMILES notation for N,N-dibutyloxolane-2-carboxamide?
The canonical SMILES for N,N-dibutyloxolane-2-carboxamide is CCCCN(CCCC)C(=O)C1CCCO1.
What is the InChIKey of N,N-dibutyloxolane-2-carboxamide?
The InChIKey is PTNGVWYDUAWHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-9-14(10-6-4-2)13(15)12-8-7-11-16-12/h12H,3-11H2,1-2H3.
What are the key properties of N,N-dibutyloxolane-2-carboxamide?
N,N-dibutyloxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyloxolane-2-carboxamide is sourced from PubChem (CID 3414196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).