1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide

C15H23N3O2 — CID 81172062

IUPAC1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC(c2ccco2)N2CCCC2)CCC1
InChIInChI=1S/C15H23N3O2/c16-15(6-4-7-15)14(19)17-11-12(13-5-3-10-20-13)18-8-1-2-9-18/h3,5,10,12H,1-2,4,6-9,11,16H2,(H,17,19)
InChIKeyXOPKSXWGIPYAOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds5

About 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide (PubChem CID 81172062) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
PubChem CID81172062
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC(c2ccco2)N2CCCC2)CCC1
InChIInChI=1S/C15H23N3O2/c16-15(6-4-7-15)14(19)17-11-12(13-5-3-10-20-13)18-8-1-2-9-18/h3,5,10,12H,1-2,4,6-9,11,16H2,(H,17,19)
InChIKeyXOPKSXWGIPYAOH-UHFFFAOYSA-N
XLogP1.41
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
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1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide (CID 81172062) is 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide is NC1(C(=O)NCC(c2ccco2)N2CCCC2)CCC1.
What is the InChIKey of 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide?
The InChIKey is XOPKSXWGIPYAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(6-4-7-15)14(19)17-11-12(13-5-3-10-20-13)18-8-1-2-9-18/h3,5,10,12H,1-2,4,6-9,11,16H2,(H,17,19).
What are the key properties of 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).