N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide

C13H18N2O3 — CID 81330891

IUPACN-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CCC(C)O2)c1
InChIInChI=1S/C13H18N2O3/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyXBONMBJZBFCKJV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.78
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide

N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide (PubChem CID 81330891) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
PubChem CID81330891
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CCC(C)O2)c1
InChIInChI=1S/C13H18N2O3/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyXBONMBJZBFCKJV-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 63258036
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
N-(2-amino-5-methoxyphenyl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119421788
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide (CID 81330891) is N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide is COc1ccc(N)c(NC(=O)C2CCC(C)O2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide?
The InChIKey is XBONMBJZBFCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81330891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).