N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide

C15H19NO2 — CID 86582866

IUPACN-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
SMILESCNC(=O)CCC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C15H19NO2/c1-16-14(17)7-5-11-3-2-10-4-6-13-12(15(10)11)8-9-18-13/h4,6,11H,2-3,5,7-9H2,1H3,(H,16,17)
InChIKeyJQAQZWFIISOMGE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide

N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide (PubChem CID 86582866) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
PubChem CID86582866
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
SMILESCNC(=O)CCC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C15H19NO2/c1-16-14(17)7-5-11-3-2-10-4-6-13-12(15(10)11)8-9-18-13/h4,6,11H,2-3,5,7-9H2,1H3,(H,16,17)
InChIKeyJQAQZWFIISOMGE-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582867
CID 172788716
CID 172788716
5-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)pentanamide
CID 68574218
2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11708851
(2R)-3-methylbutan-2-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143058
2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine
CID 118703699
N-(cyanomethyl)-2-hydroxy-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86580764
2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide
CID 141370420
2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetonitrile
CID 45278777
(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143055
(2R)-heptan-2-amine;2-[(8R)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25141869
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The IUPAC name of N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide (CID 86582866) is N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The canonical SMILES for N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide is CNC(=O)CCC1CCc2ccc3c(c21)CCO3.
What is the InChIKey of N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The InChIKey is JQAQZWFIISOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-14(17)7-5-11-3-2-10-4-6-13-12(15(10)11)8-9-18-13/h4,6,11H,2-3,5,7-9H2,1H3,(H,16,17).
What are the key properties of N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide has a molecular weight of 245.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide is sourced from PubChem (CID 86582866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).