1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one

C23H29NO3 — CID 141068958

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
SMILESCOc1ccccc1CCN(C)CCCCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H29NO3/c1-24(15-12-18-7-3-4-9-22(18)26-2)14-6-5-8-21(25)19-10-11-23-20(17-19)13-16-27-23/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3
InChIKeyNMJWWXPOQCUDAY-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.16
Rot. Bonds10

About 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one (PubChem CID 141068958) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
PubChem CID141068958
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
SMILESCOc1ccccc1CCN(C)CCCCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H29NO3/c1-24(15-12-18-7-3-4-9-22(18)26-2)14-6-5-8-21(25)19-10-11-23-20(17-19)13-16-27-23/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3
InChIKeyNMJWWXPOQCUDAY-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
6-[5-[2-(2-methoxyphenyl)ethyl-methylamino]pentanoyl]-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 10216728
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid
CID 67634798
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one (CID 141068958) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one is COc1ccccc1CCN(C)CCCCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one?
The InChIKey is NMJWWXPOQCUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-24(15-12-18-7-3-4-9-22(18)26-2)14-6-5-8-21(25)19-10-11-23-20(17-19)13-16-27-23/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one has a molecular weight of 367.49 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one is sourced from PubChem (CID 141068958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).