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

C20H27Cl2N3O — CID 120503054

IUPAC3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14(15(2)21)20(24)22-18-9-5-3-8-17(18)13-23-12-11-16-7-4-6-10-19(16)23;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyULMBJIKGSFOQON-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.01
Rot. Bonds5

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

3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503054) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503054
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14(15(2)21)20(24)22-18-9-5-3-8-17(18)13-23-12-11-16-7-4-6-10-19(16)23;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyULMBJIKGSFOQON-UHFFFAOYSA-N
XLogP4.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.01
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
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792
2-[(2-chlorophenyl)methoxy]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 55895342
tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55820004
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98364953
(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94619774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride (CID 120503054) is 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccccc1CN1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is ULMBJIKGSFOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-14(15(2)21)20(24)22-18-9-5-3-8-17(18)13-23-12-11-16-7-4-6-10-19(16)23;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).