2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide

C24H26NO2P — CID 143753217

IUPAC2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide
SMILESO=C(CC1=CCCC=C1)N(CCc1ccc(P)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H26NO2P/c26-24(16-19-4-2-1-3-5-19)25(14-12-18-6-9-22(28)10-7-18)21-8-11-23-20(17-21)13-15-27-23/h2,4-11,17H,1,3,12-16,28H2
InChIKeyCGHSUCPUMJYZMB-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.36
Rot. Bonds6

About 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide

2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide (PubChem CID 143753217) has the molecular formula C24H26NO2P and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide
PubChem CID143753217
Molecular FormulaC24H26NO2P
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide
SMILESO=C(CC1=CCCC=C1)N(CCc1ccc(P)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H26NO2P/c26-24(16-19-4-2-1-3-5-19)25(14-12-18-6-9-22(28)10-7-18)21-8-11-23-20(17-21)13-15-27-23/h2,4-11,17H,1,3,12-16,28H2
InChIKeyCGHSUCPUMJYZMB-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 68935177
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide (CID 143753217) is 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide is O=C(CC1=CCCC=C1)N(CCc1ccc(P)cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide?
The InChIKey is CGHSUCPUMJYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO2P/c26-24(16-19-4-2-1-3-5-19)25(14-12-18-6-9-22(28)10-7-18)21-8-11-23-20(17-21)13-15-27-23/h2,4-11,17H,1,3,12-16,28H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide?
2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-phosphanylphenyl)ethyl]acetamide is sourced from PubChem (CID 143753217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).