N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride

C15H25Cl2N3O2 — CID 120827444

IUPACN-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-12(16-2)11-17-15(19)13-5-3-4-6-14(13)18-7-9-20-10-8-18;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H
InChIKeyIXGXGYVEMVKELN-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride

N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride (PubChem CID 120827444) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
PubChem CID120827444
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC NameN-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-12(16-2)11-17-15(19)13-5-3-4-6-14(13)18-7-9-20-10-8-18;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H
InChIKeyIXGXGYVEMVKELN-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
2-morpholin-4-ylbenzohydrazide
CID 7148386
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride (CID 120827444) is N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride is CNC(C)CNC(=O)c1ccccc1N1CCOCC1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride?
The InChIKey is IXGXGYVEMVKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-12(16-2)11-17-15(19)13-5-3-4-6-14(13)18-7-9-20-10-8-18;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.70, 5 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-morpholin-4-ylbenzamide;dihydrochloride is sourced from PubChem (CID 120827444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).