4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide

C15H22N2O4 — CID 115294665

IUPAC4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c1-19-12-3-4-13(20-2)11(9-12)10-17-14(18)15(16)5-7-21-8-6-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyRICFNSXXJCMJFA-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds5

About 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide

4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide (PubChem CID 115294665) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
PubChem CID115294665
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c1-19-12-3-4-13(20-2)11(9-12)10-17-14(18)15(16)5-7-21-8-6-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyRICFNSXXJCMJFA-UHFFFAOYSA-N
XLogP0.83
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120690089
4-(aminomethyl)-N-[(2-methoxy-5-nitrophenyl)methyl]oxane-4-carboxamide
CID 120927015
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110774827
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide (CID 115294665) is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide?
The InChIKey is RICFNSXXJCMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-3-4-13(20-2)11(9-12)10-17-14(18)15(16)5-7-21-8-6-15/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide?
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 115294665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).