N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride

C19H27Cl2N3O2 — CID 120830811

IUPACN-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccoc1CN1c2ccccc2CC1C.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13(20-3)11-21-19(23)16-8-9-24-18(16)12-22-14(2)10-15-6-4-5-7-17(15)22;;/h4-9,13-14,20H,10-12H2,1-3H3,(H,21,23);2*1H
InChIKeyWSYOXURJONUUSM-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride

N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride (PubChem CID 120830811) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
PubChem CID120830811
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccoc1CN1c2ccccc2CC1C.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13(20-3)11-21-19(23)16-8-9-24-18(16)12-22-14(2)10-15-6-4-5-7-17(15)22;;/h4-9,13-14,20H,10-12H2,1-3H3,(H,21,23);2*1H
InChIKeyWSYOXURJONUUSM-UHFFFAOYSA-N
XLogP3.41
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 120830812
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
CID 56567369
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
CID 56562145
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56564349
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797
N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 86972734
N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56565449
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560988
2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
CID 119346292
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56561737

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride (CID 120830811) is N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1ccoc1CN1c2ccccc2CC1C.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride?
The InChIKey is WSYOXURJONUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-13(20-3)11-21-19(23)16-8-9-24-18(16)12-22-14(2)10-15-6-4-5-7-17(15)22;;/h4-9,13-14,20H,10-12H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120830811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).