3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C22H26N2O2 — CID 91833558

IUPAC3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)CCC2)CC1Cc2ccccc2O1
InChIInChI=1S/C22H26N2O2/c1-24(15-20-14-18-5-2-3-8-21(18)26-20)12-11-22(25)23-19-10-9-16-6-4-7-17(16)13-19/h2-3,5,8-10,13,20H,4,6-7,11-12,14-15H2,1H3,(H,23,25)
InChIKeyBMRONGSLTUHBFX-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.44
Rot. Bonds6

About 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 91833558) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID91833558
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)CCC2)CC1Cc2ccccc2O1
InChIInChI=1S/C22H26N2O2/c1-24(15-20-14-18-5-2-3-8-21(18)26-20)12-11-22(25)23-19-10-9-16-6-4-7-17(16)13-19/h2-3,5,8-10,13,20H,4,6-7,11-12,14-15H2,1H3,(H,23,25)
InChIKeyBMRONGSLTUHBFX-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide
CID 118784805
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
2-(2,3-dihydro-1-benzofuran-2-yl)-N-(4-fluorophenyl)acetamide
CID 146150593
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 91833558) is 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is CN(CCC(=O)Nc1ccc2c(c1)CCC2)CC1Cc2ccccc2O1.
What is the InChIKey of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is BMRONGSLTUHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(15-20-14-18-5-2-3-8-21(18)26-20)12-11-22(25)23-19-10-9-16-6-4-7-17(16)13-19/h2-3,5,8-10,13,20H,4,6-7,11-12,14-15H2,1H3,(H,23,25).
What are the key properties of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 91833558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).