2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide

C21H26N2O2 — CID 111332362

IUPAC2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(CCCO)C1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(18-9-3-2-4-10-18)21(25)16-23(14-7-15-24)20-13-12-17-8-5-6-11-19(17)20/h2-6,8-11,20,24H,7,12-16H2,1H3
InChIKeyNMYQJEJDEWPWGE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds7

About 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide

2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 111332362) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
PubChem CID111332362
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(CCCO)C1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(18-9-3-2-4-10-18)21(25)16-23(14-7-15-24)20-13-12-17-8-5-6-11-19(17)20/h2-6,8-11,20,24H,7,12-16H2,1H3
InChIKeyNMYQJEJDEWPWGE-UHFFFAOYSA-N
XLogP3.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide (CID 111332362) is 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide is CN(C(=O)CN(CCCO)C1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is NMYQJEJDEWPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(18-9-3-2-4-10-18)21(25)16-23(14-7-15-24)20-13-12-17-8-5-6-11-19(17)20/h2-6,8-11,20,24H,7,12-16H2,1H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide?
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 111332362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).