4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide

C14H19N3O3 — CID 83106473

IUPAC4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C14H19N3O3/c1-9-4-3-5-10(15)12(9)14(19)17-6-7-20-8-11(17)13(18)16-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyNLXWMMFQECJIBV-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.16
Rot. Bonds2

About 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide

4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83106473) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83106473
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C14H19N3O3/c1-9-4-3-5-10(15)12(9)14(19)17-6-7-20-8-11(17)13(18)16-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyNLXWMMFQECJIBV-UHFFFAOYSA-N
XLogP0.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.16
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

4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106686
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83096974
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide (CID 83106473) is 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1c(C)cccc1N.
What is the InChIKey of 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is NLXWMMFQECJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-3-5-10(15)12(9)14(19)17-6-7-20-8-11(17)13(18)16-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).