N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride

C20H24ClN3O2 — CID 119690415

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc21.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13(19(21)15-6-4-3-5-7-15)20(25)22-17-8-9-18-16(12-17)10-11-23(18)14(2)24;/h3-9,12-13,19H,10-11,21H2,1-2H3,(H,22,25);1H
InChIKeyWALFZLNKBYYWQG-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.29
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119690415) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119690415
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc21.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13(19(21)15-6-4-3-5-7-15)20(25)22-17-8-9-18-16(12-17)10-11-23(18)14(2)24;/h3-9,12-13,19H,10-11,21H2,1-2H3,(H,22,25);1H
InChIKeyWALFZLNKBYYWQG-UHFFFAOYSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
3-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119685859

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride (CID 119690415) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is WALFZLNKBYYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-13(19(21)15-6-4-3-5-7-15)20(25)22-17-8-9-18-16(12-17)10-11-23(18)14(2)24;/h3-9,12-13,19H,10-11,21H2,1-2H3,(H,22,25);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119690415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).