N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide

C14H22N2O3 — CID 111123272

IUPACN-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
SMILESCCC(O)CN1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O3/c1-2-11(17)10-16-7-3-6-13(16)14(18)15-9-12-5-4-8-19-12/h4-5,8,11,13,17H,2-3,6-7,9-10H2,1H3,(H,15,18)
InChIKeyKIXJLBNUROORRO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide (PubChem CID 111123272) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
PubChem CID111123272
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
SMILESCCC(O)CN1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O3/c1-2-11(17)10-16-7-3-6-13(16)14(18)15-9-12-5-4-8-19-12/h4-5,8,11,13,17H,2-3,6-7,9-10H2,1H3,(H,15,18)
InChIKeyKIXJLBNUROORRO-UHFFFAOYSA-N
XLogP1.13
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857113
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 47025093
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide (CID 111123272) is N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide is CCC(O)CN1CCCC1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide?
The InChIKey is KIXJLBNUROORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-11(17)10-16-7-3-6-13(16)14(18)15-9-12-5-4-8-19-12/h4-5,8,11,13,17H,2-3,6-7,9-10H2,1H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 111123272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).