2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride

C18H25Cl2N3O2 — CID 120826494

IUPAC2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1Nc1cccc(OC)c1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-13(19-2)12-20-18(22)16-9-4-5-10-17(16)21-14-7-6-8-15(11-14)23-3;;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);2*1H
InChIKeyXTUXNJFWVORVGL-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.62
Rot. Bonds7

About 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride

2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride (PubChem CID 120826494) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride
PubChem CID120826494
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1Nc1cccc(OC)c1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-13(19-2)12-20-18(22)16-9-4-5-10-17(16)21-14-7-6-8-15(11-14)23-3;;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);2*1H
InChIKeyXTUXNJFWVORVGL-UHFFFAOYSA-N
XLogP3.62
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-(3-methoxyanilino)benzoate
CID 6943552
N-[2-(methylamino)propyl]-2-[(3-methylbenzoyl)amino]benzamide;hydrochloride
CID 120827166
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride?
The IUPAC name of 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride (CID 120826494) is 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride?
The canonical SMILES for 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride is CNC(C)CNC(=O)c1ccccc1Nc1cccc(OC)c1.Cl.Cl.
What is the InChIKey of 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride?
The InChIKey is XTUXNJFWVORVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-13(19-2)12-20-18(22)16-9-4-5-10-17(16)21-14-7-6-8-15(11-14)23-3;;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride?
2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 120826494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).