4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide

C14H20N2O2 — CID 66236049

IUPAC4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1COCC1N)c1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-6-4-5-10(2)7-11)14(17)12-8-18-9-13(12)15/h4-7,12-13H,3,8-9,15H2,1-2H3
InChIKeyLTFMTBBRSZSDPP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds3

About 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide

4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide (PubChem CID 66236049) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
PubChem CID66236049
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1COCC1N)c1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-6-4-5-10(2)7-11)14(17)12-8-18-9-13(12)15/h4-7,12-13H,3,8-9,15H2,1-2H3
InChIKeyLTFMTBBRSZSDPP-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 533210
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
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4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
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N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
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CID 109139998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide (CID 66236049) is 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide is CCN(C(=O)C1COCC1N)c1cccc(C)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide?
The InChIKey is LTFMTBBRSZSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(11-6-4-5-10(2)7-11)14(17)12-8-18-9-13(12)15/h4-7,12-13H,3,8-9,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide?
4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66236049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).