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

C24H27NO3 — CID 53238409

IUPACN-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2ccccc2OC(C)C)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C24H27NO3/c1-15(2)28-23-7-5-4-6-18(23)21-14-17-8-9-22-20(11-13-27-22)24(17)19(21)10-12-25-16(3)26/h4-9,15H,10-14H2,1-3H3,(H,25,26)
InChIKeyYXIYHVCEIJOWOH-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.40
Rot. Bonds6

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

N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (PubChem CID 53238409) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
PubChem CID53238409
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2ccccc2OC(C)C)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C24H27NO3/c1-15(2)28-23-7-5-4-6-18(23)21-14-17-8-9-22-20(11-13-27-22)24(17)19(21)10-12-25-16(3)26/h4-9,15H,10-14H2,1-3H3,(H,25,26)
InChIKeyYXIYHVCEIJOWOH-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Agomelatine
CID 82148
Ramelteon
CID 208902
Tasimelteon
CID 10220503
Motretinide
CID 6314185
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
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
Cifea
CID 53238181
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (CID 53238409) is N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is CC(=O)NCCC1=C(c2ccccc2OC(C)C)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The InChIKey is YXIYHVCEIJOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-15(2)28-23-7-5-4-6-18(23)21-14-17-8-9-22-20(11-13-27-22)24(17)19(21)10-12-25-16(3)26/h4-9,15H,10-14H2,1-3H3,(H,25,26).
What are the key properties of N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide has a molecular weight of 377.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is sourced from PubChem (CID 53238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).