2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride

C19H22ClN3O2 — CID 120589439

IUPAC2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-12(13-8-9-16-14(10-13)11-17(23)22-16)21-18(24)19(2,20)15-6-4-3-5-7-15;/h3-10,12H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyUKTLKCWTSOKHGK-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120589439) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120589439
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-12(13-8-9-16-14(10-13)11-17(23)22-16)21-18(24)19(2,20)15-6-4-3-5-7-15;/h3-10,12H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyUKTLKCWTSOKHGK-UHFFFAOYSA-N
XLogP2.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296412
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-phenylfuran-2-carboxamide
CID 154774789
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120589439) is 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride is CC(NC(=O)C(C)(N)c1ccccc1)c1ccc2c(c1)CC(=O)N2.Cl.
What is the InChIKey of 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is UKTLKCWTSOKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-12(13-8-9-16-14(10-13)11-17(23)22-16)21-18(24)19(2,20)15-6-4-3-5-7-15;/h3-10,12H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120589439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).