N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide

C15H28N2O2 — CID 106612018

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CCCCO1
InChIInChI=1S/C15H28N2O2/c1-2-3-10-17(12-13-7-6-9-16-13)15(18)14-8-4-5-11-19-14/h13-14,16H,2-12H2,1H3
InChIKeyOQTNDIPBNQHZEI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide

N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide (PubChem CID 106612018) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
PubChem CID106612018
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CCCCO1
InChIInChI=1S/C15H28N2O2/c1-2-3-10-17(12-13-7-6-9-16-13)15(18)14-8-4-5-11-19-14/h13-14,16H,2-12H2,1H3
InChIKeyOQTNDIPBNQHZEI-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
CID 106625979
N,N-dibutyloxolane-2-carboxamide
CID 3414196
(2S)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106608286
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 128964538
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 106612077
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106610382
N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611873
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide (CID 106612018) is N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide is CCCCN(CC1CCCN1)C(=O)C1CCCCO1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide?
The InChIKey is OQTNDIPBNQHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-10-17(12-13-7-6-9-16-13)15(18)14-8-4-5-11-19-14/h13-14,16H,2-12H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide is sourced from PubChem (CID 106612018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).