2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride

C20H27Cl2N3O — CID 119866785

IUPAC2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-2-5-18(21)20(24)22-17-10-8-15(9-11-17)14-23-13-12-16-6-3-4-7-19(16)23;;/h3-4,6-11,18H,2,5,12-14,21H2,1H3,(H,22,24);2*1H
InChIKeyWFXJRAKOWZCEOS-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride

2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride (PubChem CID 119866785) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
PubChem CID119866785
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-2-5-18(21)20(24)22-17-10-8-15(9-11-17)14-23-13-12-16-6-3-4-7-19(16)23;;/h3-4,6-11,18H,2,5,12-14,21H2,1H3,(H,22,24);2*1H
InChIKeyWFXJRAKOWZCEOS-UHFFFAOYSA-N
XLogP4.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119853033
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
potassium 4-[4-(2,3-dihydroindol-1-ylmethyl)anilino]-3-(hydroxymethyl)-4-oxobutanoate
CID 167776232
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119311151
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119866803
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride (CID 119866785) is 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride is CCCC(N)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The InChIKey is WFXJRAKOWZCEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-2-5-18(21)20(24)22-17-10-8-15(9-11-17)14-23-13-12-16-6-3-4-7-19(16)23;;/h3-4,6-11,18H,2,5,12-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.16, 6 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-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).