4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide

C14H19ClN2O4 — CID 115293932

IUPAC4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2(N)CCOCC2)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-19-11-7-9(15)10(8-12(11)20-2)17-13(18)14(16)3-5-21-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyLOKWBGUUORQGML-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide

4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide (PubChem CID 115293932) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
PubChem CID115293932
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2(N)CCOCC2)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-19-11-7-9(15)10(8-12(11)20-2)17-13(18)14(16)3-5-21-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyLOKWBGUUORQGML-UHFFFAOYSA-N
XLogP1.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
CID 115293838
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 115189599
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide (CID 115293932) is 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide is COc1cc(Cl)c(NC(=O)C2(N)CCOCC2)cc1OC.
What is the InChIKey of 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide?
The InChIKey is LOKWBGUUORQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-19-11-7-9(15)10(8-12(11)20-2)17-13(18)14(16)3-5-21-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide?
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).