3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride

C19H23ClN2O — CID 119678167

IUPAC3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1)CCC2)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13(18(20)15-6-3-2-4-7-15)19(22)21-17-11-10-14-8-5-9-16(14)12-17;/h2-4,6-7,10-13,18H,5,8-9,20H2,1H3,(H,21,22);1H
InChIKeyMYNMZVDKATWPQQ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.87
Rot. Bonds4

About 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119678167) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119678167
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1)CCC2)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13(18(20)15-6-3-2-4-7-15)19(22)21-17-11-10-14-8-5-9-16(14)12-17;/h2-4,6-7,10-13,18H,5,8-9,20H2,1H3,(H,21,22);1H
InChIKeyMYNMZVDKATWPQQ-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
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(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
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3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119724509
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119678167) is 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride is CC(C(=O)Nc1ccc2c(c1)CCC2)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is MYNMZVDKATWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-13(18(20)15-6-3-2-4-7-15)19(22)21-17-11-10-14-8-5-9-16(14)12-17;/h2-4,6-7,10-13,18H,5,8-9,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119678167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).