phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate

C17H20N2O3 — CID 112503288

IUPACphenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
SMILESO=C(NCC(c1ccco1)N1CCCC1)Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-17(22-14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20)
InChIKeyFVWKOLHKAQBNQC-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds5

About phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate

phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate (PubChem CID 112503288) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
PubChem CID112503288
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namephenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
SMILESO=C(NCC(c1ccco1)N1CCCC1)Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-17(22-14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20)
InChIKeyFVWKOLHKAQBNQC-UHFFFAOYSA-N
XLogP3.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The IUPAC name of phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate (CID 112503288) is phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The canonical SMILES for phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate is O=C(NCC(c1ccco1)N1CCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The InChIKey is FVWKOLHKAQBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(22-14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20).
What are the key properties of phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate is sourced from PubChem (CID 112503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).