2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide

C20H30N2O2 — CID 60568533

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C20H30N2O2/c1-15-5-4-9-22(13-15)20(2,3)14-21-19(23)12-16-6-7-18-17(11-16)8-10-24-18/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3,(H,21,23)
InChIKeyOFCJTLWMQBFMNU-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.79
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 60568533) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
PubChem CID60568533
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C20H30N2O2/c1-15-5-4-9-22(13-15)20(2,3)14-21-19(23)12-16-6-7-18-17(11-16)8-10-24-18/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3,(H,21,23)
InChIKeyOFCJTLWMQBFMNU-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95275456
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 120612697
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 110622638
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 120645327
5-bromo-N-[3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51124897
4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110813111

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide (CID 60568533) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide is CC1CCCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is OFCJTLWMQBFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-5-4-9-22(13-15)20(2,3)14-21-19(23)12-16-6-7-18-17(11-16)8-10-24-18/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 60568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).