(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide

C15H21NO4 — CID 131702304

IUPAC(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(OCCO)CCCC1
InChIInChI=1S/C15H21NO4/c17-9-11-20-15(7-1-2-8-15)12-16-14(18)6-5-13-4-3-10-19-13/h3-6,10,17H,1-2,7-9,11-12H2,(H,16,18)/b6-5+
InChIKeyVAMIBEXGPIFYPK-AATRIKPKSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide (PubChem CID 131702304) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
PubChem CID131702304
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(OCCO)CCCC1
InChIInChI=1S/C15H21NO4/c17-9-11-20-15(7-1-2-8-15)12-16-14(18)6-5-13-4-3-10-19-13/h3-6,10,17H,1-2,7-9,11-12H2,(H,16,18)/b6-5+
InChIKeyVAMIBEXGPIFYPK-AATRIKPKSA-N
XLogP1.73
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide
CID 97414557
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-phenylprop-2-enamide
CID 171136928
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 143504725
(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 134161814
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 76870607
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide (CID 131702304) is (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC1(OCCO)CCCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide?
The InChIKey is VAMIBEXGPIFYPK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H21NO4/c17-9-11-20-15(7-1-2-8-15)12-16-14(18)6-5-13-4-3-10-19-13/h3-6,10,17H,1-2,7-9,11-12H2,(H,16,18)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide is sourced from PubChem (CID 131702304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).