2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide

C13H18N2O4 — CID 80716754

IUPAC2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1cc(N)c(C(=O)NC2CCOC2)cc1OC
InChIInChI=1S/C13H18N2O4/c1-17-11-5-9(10(14)6-12(11)18-2)13(16)15-8-3-4-19-7-8/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyXMLMEZZNFRKTML-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.80
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide

2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide (PubChem CID 80716754) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
PubChem CID80716754
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1cc(N)c(C(=O)NC2CCOC2)cc1OC
InChIInChI=1S/C13H18N2O4/c1-17-11-5-9(10(14)6-12(11)18-2)13(16)15-8-3-4-19-7-8/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyXMLMEZZNFRKTML-UHFFFAOYSA-N
XLogP0.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide (CID 80716754) is 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide is COc1cc(N)c(C(=O)NC2CCOC2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide?
The InChIKey is XMLMEZZNFRKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-11-5-9(10(14)6-12(11)18-2)13(16)15-8-3-4-19-7-8/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide?
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 80716754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).