4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide

C13H17N3O3 — CID 83094286

IUPAC4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1cc(N)ccc1C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H17N3O3/c1-8-6-9(14)2-3-10(8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyFXTVKXHNTZWSAG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.10
Rot. Bonds2

About 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide

4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide (PubChem CID 83094286) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
PubChem CID83094286
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1cc(N)ccc1C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C13H17N3O3/c1-8-6-9(14)2-3-10(8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyFXTVKXHNTZWSAG-UHFFFAOYSA-N
XLogP-0.10
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
CID 113346648
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(5-amino-1H-pyrazole-4-carbonyl)morpholine-3-carboxamide
CID 83096092
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide (CID 83094286) is 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide is Cc1cc(N)ccc1C(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide?
The InChIKey is FXTVKXHNTZWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-9(14)2-3-10(8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7,14H2,1H3,(H2,15,17).
What are the key properties of 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide?
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).