N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

C16H23NO2 — CID 123939625

IUPACN-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCC2CC=C3OCCC3=C21
InChIInChI=1S/C16H23NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h6,11-12H,2-5,7-10H2,1H3,(H,17,18)
InChIKeyJDKISXQDSRUPFA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (PubChem CID 123939625) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
PubChem CID123939625
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCC2CC=C3OCCC3=C21
InChIInChI=1S/C16H23NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h6,11-12H,2-5,7-10H2,1H3,(H,17,18)
InChIKeyJDKISXQDSRUPFA-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide with MolForge

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Related Compounds

N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 66799785
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
CID 69277161
N-[2-[(3aS)-2,3a,4,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 71245372
N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
CID 123340751
N-[2-[2-(2-ethylideneoxolan-3-ylidene)-3-methylidenecyclopentyl]ethyl]propanamide
CID 123797094
N-[2-(8-methoxy-1,2,3,4-tetrahydroacenaphthylen-1-yl)ethyl]propanamide
CID 140437291
N-[(8-methoxy-1,2,3,4-tetrahydroacenaphthylen-1-yl)methyl]butanamide
CID 140437293
N-[2-(8-methoxy-1,2,3,4-tetrahydroacenaphthylen-1-yl)ethyl]butanamide
CID 140437294
N-[(8-methoxy-1,2,3,4-tetrahydroacenaphthylen-1-yl)methyl]propanamide
CID 140437298
N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
CID 163459212
N-[2-[(8S)-2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 163672061

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (CID 123939625) is N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCC2CC=C3OCCC3=C21.
What is the InChIKey of N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The InChIKey is JDKISXQDSRUPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h6,11-12H,2-5,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide has a molecular weight of 261.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is sourced from PubChem (CID 123939625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).