3-amino-5-methoxy-4-morpholin-4-ylbenzamide

C12H17N3O3 — CID 166624983

IUPAC3-amino-5-methoxy-4-morpholin-4-ylbenzamide
SMILESCOc1cc(C(N)=O)cc(N)c1N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-17-10-7-8(12(14)16)6-9(13)11(10)15-2-4-18-5-3-15/h6-7H,2-5,13H2,1H3,(H2,14,16)
InChIKeyXLGWAHDBWVUUKQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.21
Rot. Bonds3

About 3-amino-5-methoxy-4-morpholin-4-ylbenzamide

3-amino-5-methoxy-4-morpholin-4-ylbenzamide (PubChem CID 166624983) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-5-methoxy-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-4-morpholin-4-ylbenzamide
PubChem CID166624983
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-amino-5-methoxy-4-morpholin-4-ylbenzamide
SMILESCOc1cc(C(N)=O)cc(N)c1N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-17-10-7-8(12(14)16)6-9(13)11(10)15-2-4-18-5-3-15/h6-7H,2-5,13H2,1H3,(H2,14,16)
InChIKeyXLGWAHDBWVUUKQ-UHFFFAOYSA-N
XLogP0.21
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.21
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

3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
CID 83012420
3,5-dimethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 101437500
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549
4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
CID 167231482
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
CID 110169094
6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 6992898
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-amino-5-methoxy-4-morpholin-4-ylbenzamide (CID 166624983) is 3-amino-5-methoxy-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-amino-5-methoxy-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-amino-5-methoxy-4-morpholin-4-ylbenzamide is COc1cc(C(N)=O)cc(N)c1N1CCOCC1.
What is the InChIKey of 3-amino-5-methoxy-4-morpholin-4-ylbenzamide?
The InChIKey is XLGWAHDBWVUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-7-8(12(14)16)6-9(13)11(10)15-2-4-18-5-3-15/h6-7H,2-5,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-5-methoxy-4-morpholin-4-ylbenzamide?
3-amino-5-methoxy-4-morpholin-4-ylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 166624983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).