2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide

C17H18N2O2 — CID 116675611

IUPAC2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccco1)=C1CNC1
InChIInChI=1S/C17H18N2O2/c1-12(14-10-18-11-14)17(20)19-16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyXBDQSGPDIOTJCA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.40
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide (PubChem CID 116675611) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
PubChem CID116675611
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccco1)=C1CNC1
InChIInChI=1S/C17H18N2O2/c1-12(14-10-18-11-14)17(20)19-16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyXBDQSGPDIOTJCA-UHFFFAOYSA-N
XLogP2.40
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 104892386
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide
CID 116675499
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide (CID 116675611) is 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide is CC(C(=O)NC(c1ccccc1)c1ccco1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide?
The InChIKey is XBDQSGPDIOTJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(14-10-18-11-14)17(20)19-16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,16,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide is sourced from PubChem (CID 116675611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).