4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide

C13H17N3O4 — CID 104783187

IUPAC4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCOCC2C(N)=O)ccc1N
InChIInChI=1S/C13H17N3O4/c1-19-11-6-8(2-3-9(11)14)13(18)16-4-5-20-7-10(16)12(15)17/h2-3,6,10H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyKVLIXVIZNAPAEZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.40
Rot. Bonds3

About 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide

4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide (PubChem CID 104783187) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
PubChem CID104783187
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCOCC2C(N)=O)ccc1N
InChIInChI=1S/C13H17N3O4/c1-19-11-6-8(2-3-9(11)14)13(18)16-4-5-20-7-10(16)12(15)17/h2-3,6,10H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyKVLIXVIZNAPAEZ-UHFFFAOYSA-N
XLogP-0.40
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-3-methoxyphenyl)methanone
CID 104782789
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide (CID 104783187) is 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide is COc1cc(C(=O)N2CCOCC2C(N)=O)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide?
The InChIKey is KVLIXVIZNAPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11-6-8(2-3-9(11)14)13(18)16-4-5-20-7-10(16)12(15)17/h2-3,6,10H,4-5,7,14H2,1H3,(H2,15,17).
What are the key properties of 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide?
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 104783187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).