N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide

C18H23NO3 — CID 143927615

IUPACN-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide
SMILESC=C(CNC(=O)CC)[C@@H]1CCc2cc(OC)c3c(c21)CCO3
InChIInChI=1S/C18H23NO3/c1-4-16(20)19-10-11(2)13-6-5-12-9-15(21-3)18-14(17(12)13)7-8-22-18/h9,13H,2,4-8,10H2,1,3H3,(H,19,20)/t13-/m0/s1
InChIKeyYLVFKXDLLAZEID-ZDUSSCGKSA-N
MW301.39 g/mol
LogP2.74
Rot. Bonds5

About N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide

N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide (PubChem CID 143927615) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide
PubChem CID143927615
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide
SMILESC=C(CNC(=O)CC)[C@@H]1CCc2cc(OC)c3c(c21)CCO3
InChIInChI=1S/C18H23NO3/c1-4-16(20)19-10-11(2)13-6-5-12-9-15(21-3)18-14(17(12)13)7-8-22-18/h9,13H,2,4-8,10H2,1,3H3,(H,19,20)/t13-/m0/s1
InChIKeyYLVFKXDLLAZEID-ZDUSSCGKSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11562621
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
CID 172788716
CID 172788716
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide
CID 143927613
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113096354
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34748281
[2-oxo-2-(propylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067051
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide?
The IUPAC name of N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide (CID 143927615) is N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide.
What is the SMILES notation for N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide?
The canonical SMILES for N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide is C=C(CNC(=O)CC)[C@@H]1CCc2cc(OC)c3c(c21)CCO3.
What is the InChIKey of N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide?
The InChIKey is YLVFKXDLLAZEID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-16(20)19-10-11(2)13-6-5-12-9-15(21-3)18-14(17(12)13)7-8-22-18/h9,13H,2,4-8,10H2,1,3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide?
N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide is sourced from PubChem (CID 143927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).