N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

C22H29NO2 — CID 53238181

IUPACN-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)
InChIKeyMMMAALHYEKMNHU-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.43
Rot. Bonds5

About N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (PubChem CID 53238181) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
PubChem CID53238181
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)
InChIKeyMMMAALHYEKMNHU-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Agomelatine
CID 82148
Ramelteon
CID 208902
Tasimelteon
CID 10220503
Motretinide
CID 6314185
N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide
CID 9881626
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
Isoamyl-agomelatine
CID 57381997

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (CID 53238181) is N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is CC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The InChIKey is MMMAALHYEKMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24).
What are the key properties of N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is sourced from PubChem (CID 53238181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).