4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide

C14H19BrN2O3 — CID 115294122

IUPAC4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H19BrN2O3/c1-9-7-10(15)8-11(19-2)12(9)17-13(18)14(16)3-5-20-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyYKYXJFVRPYFABJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.21
Rot. Bonds3

About 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide

4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide (PubChem CID 115294122) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
PubChem CID115294122
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H19BrN2O3/c1-9-7-10(15)8-11(19-2)12(9)17-13(18)14(16)3-5-20-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyYKYXJFVRPYFABJ-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64551670
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63122221
4-amino-N-(3-bromo-5-methylphenyl)oxane-4-carboxamide
CID 107583475
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
methyl 2-[(3-aminooxolane-3-carbonyl)amino]-3,5-dibromobenzoate
CID 64892746
2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
CID 81172402
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide (CID 115294122) is 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide is COc1cc(Br)cc(C)c1NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide?
The InChIKey is YKYXJFVRPYFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9-7-10(15)8-11(19-2)12(9)17-13(18)14(16)3-5-20-6-4-14/h7-8H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide?
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).