3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide

C13H18N2O2 — CID 64891886

IUPAC3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCOC2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)15-12(16)13(14)5-6-17-8-13/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)
InChIKeyIWOBAFIUEXTUPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide

3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide (PubChem CID 64891886) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
PubChem CID64891886
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCOC2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)15-12(16)13(14)5-6-17-8-13/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)
InChIKeyIWOBAFIUEXTUPP-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
CID 64891328
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 64892399
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide (CID 64891886) is 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide is Cc1ccc(NC(=O)C2(N)CCOC2)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide?
The InChIKey is IWOBAFIUEXTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)15-12(16)13(14)5-6-17-8-13/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide?
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).