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

C20H27Cl2N3O — CID 119853033

IUPAC2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-2-7-17(21)20(24)22-18-10-5-3-9-16(18)14-23-13-12-15-8-4-6-11-19(15)23;;/h3-6,8-11,17H,2,7,12-14,21H2,1H3,(H,22,24);2*1H
InChIKeyIDBNREWOBBIFBF-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.16
Rot. Bonds6

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

2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride (PubChem CID 119853033) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
PubChem CID119853033
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-2-7-17(21)20(24)22-18-10-5-3-9-16(18)14-23-13-12-15-8-4-6-11-19(15)23;;/h3-6,8-11,17H,2,7,12-14,21H2,1H3,(H,22,24);2*1H
InChIKeyIDBNREWOBBIFBF-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

3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119866785
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride (CID 119853033) is 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride is CCCC(N)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
The InChIKey is IDBNREWOBBIFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-2-7-17(21)20(24)22-18-10-5-3-9-16(18)14-23-13-12-15-8-4-6-11-19(15)23;;/h3-6,8-11,17H,2,7,12-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride?
2-amino-N-[2-(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-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119853033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).