3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide

C13H19N3O2 — CID 112577647

IUPAC3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
SMILESCC1CN(c2c(N)cccc2C(N)=O)CC(C)O1
InChIInChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)12-10(13(15)17)4-3-5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyKTQJAKRRXCQIFN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide

3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide (PubChem CID 112577647) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
PubChem CID112577647
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
SMILESCC1CN(c2c(N)cccc2C(N)=O)CC(C)O1
InChIInChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)12-10(13(15)17)4-3-5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyKTQJAKRRXCQIFN-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
3-(Morpholine-4-carbonyl)aniline
CID 6485064
Ethyl 4-{[2-(acetylamino)phenyl]carbonyl}piperazine-1-carboxylate
CID 742027
N-(2-carbamoylphenyl)morpholine-4-carboxamide
CID 788807
N-[2-(4-morpholinylcarbonyl)phenyl]-3-phenylpropanamide
CID 2206381
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide
CID 577309
Butyl 2-(4-morpholinylcarbonyl)phenylcarbamate
CID 2175702
2-[(Morpholin-4-ylacetyl)amino]benzamide
CID 717339

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide?
The IUPAC name of 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide (CID 112577647) is 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide?
The canonical SMILES for 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide is CC1CN(c2c(N)cccc2C(N)=O)CC(C)O1.
What is the InChIKey of 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide?
The InChIKey is KTQJAKRRXCQIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)12-10(13(15)17)4-3-5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide?
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 112577647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).