3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide

C14H21N3O3 — CID 82999726

IUPAC3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CC(CO)OCC2C)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-9-8-20-11(7-18)6-17(9)13-4-3-10(5-12(13)15)14(19)16-2/h3-5,9,11,18H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyAOCQZAQCYIWCRA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.21
Rot. Bonds3

About 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide

3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide (PubChem CID 82999726) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
PubChem CID82999726
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CC(CO)OCC2C)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-9-8-20-11(7-18)6-17(9)13-4-3-10(5-12(13)15)14(19)16-2/h3-5,9,11,18H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyAOCQZAQCYIWCRA-UHFFFAOYSA-N
XLogP0.21
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
1-[3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]phenyl]ethanone
CID 81204142
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842
3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 82804864
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide (CID 82999726) is 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide is CNC(=O)c1ccc(N2CC(CO)OCC2C)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide?
The InChIKey is AOCQZAQCYIWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-8-20-11(7-18)6-17(9)13-4-3-10(5-12(13)15)14(19)16-2/h3-5,9,11,18H,6-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide?
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 82999726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).