N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

C12H18N2O3 — CID 61213451

IUPACN-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ccco2)C1
InChIInChI=1S/C12H18N2O3/c1-8(11-4-3-5-17-11)14-12(15)10-6-9(16-2)7-13-10/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyBVJUAGZNVRFNCI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.83
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213451) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213451
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ccco2)C1
InChIInChI=1S/C12H18N2O3/c1-8(11-4-3-5-17-11)14-12(15)10-6-9(16-2)7-13-10/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyBVJUAGZNVRFNCI-UHFFFAOYSA-N
XLogP0.83
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61213616
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 93104490
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 112703598
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61213451) is N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2ccco2)C1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BVJUAGZNVRFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(11-4-3-5-17-11)14-12(15)10-6-9(16-2)7-13-10/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).