2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

C13H20N2O3 — CID 64611617

IUPAC2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESO=C(CC1CNC1)NCCCOCc1ccco1
InChIInChI=1S/C13H20N2O3/c16-13(7-11-8-14-9-11)15-4-2-5-17-10-12-3-1-6-18-12/h1,3,6,11,14H,2,4-5,7-10H2,(H,15,16)
InChIKeyXCZANLNYXHWJRS-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.91
Rot. Bonds8

About 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (PubChem CID 64611617) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
PubChem CID64611617
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESO=C(CC1CNC1)NCCCOCc1ccco1
InChIInChI=1S/C13H20N2O3/c16-13(7-11-8-14-9-11)15-4-2-5-17-10-12-3-1-6-18-12/h1,3,6,11,14H,2,4-5,7-10H2,(H,15,16)
InChIKeyXCZANLNYXHWJRS-UHFFFAOYSA-N
XLogP0.91
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
2-(azetidin-3-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 64609560
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (CID 64611617) is 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is O=C(CC1CNC1)NCCCOCc1ccco1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The InChIKey is XCZANLNYXHWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-13(7-11-8-14-9-11)15-4-2-5-17-10-12-3-1-6-18-12/h1,3,6,11,14H,2,4-5,7-10H2,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is sourced from PubChem (CID 64611617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).