N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide

C16H25N3O2 — CID 120827373

IUPACN-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCNC(C)CNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-13(17-2)11-18-16(20)15-5-3-4-14(10-15)12-19-6-8-21-9-7-19/h3-5,10,13,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyYVYYFUWJAPWCGX-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.86
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide

N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 120827373) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID120827373
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCNC(C)CNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-13(17-2)11-18-16(20)15-5-3-4-14(10-15)12-19-6-8-21-9-7-19/h3-5,10,13,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyYVYYFUWJAPWCGX-UHFFFAOYSA-N
XLogP0.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 126806827
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide (CID 120827373) is N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide is CNC(C)CNC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is YVYYFUWJAPWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(17-2)11-18-16(20)15-5-3-4-14(10-15)12-19-6-8-21-9-7-19/h3-5,10,13,17H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 0.86, 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]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 120827373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).