2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride

C21H26ClN3O2 — CID 119761284

IUPAC2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-3-14(2)19(22)20(25)23-17-10-8-16(9-11-17)21(26)24-13-12-15-6-4-5-7-18(15)24;/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,25);1H
InChIKeyLDKVRPTXJFSNHQ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.62
Rot. Bonds5

About 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119761284) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
PubChem CID119761284
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-3-14(2)19(22)20(25)23-17-10-8-16(9-11-17)21(26)24-13-12-15-6-4-5-7-18(15)24;/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,25);1H
InChIKeyLDKVRPTXJFSNHQ-UHFFFAOYSA-N
XLogP3.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
CID 119761273
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride (CID 119761284) is 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is LDKVRPTXJFSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-3-14(2)19(22)20(25)23-17-10-8-16(9-11-17)21(26)24-13-12-15-6-4-5-7-18(15)24;/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119761284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).