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

C14H19N3O3 — CID 83107171

IUPAC4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-9-7-10(3-4-11(9)15)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeySCPZTGXIQGVQLS-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.16
Rot. Bonds2

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

4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83107171) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83107171
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-9-7-10(3-4-11(9)15)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeySCPZTGXIQGVQLS-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-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106686
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide (CID 83107171) is 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is SCPZTGXIQGVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-10(3-4-11(9)15)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
4-(4-amino-3-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-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83107171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).