3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide

C14H20N2O2 — CID 64891208

IUPAC3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11-4-6-12(7-5-11)16(2)13(17)14(15)8-9-18-10-14/h4-7H,3,8-10,15H2,1-2H3
InChIKeySAVNXPDVDKRJOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide

3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide (PubChem CID 64891208) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
PubChem CID64891208
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11-4-6-12(7-5-11)16(2)13(17)14(15)8-9-18-10-14/h4-7H,3,8-10,15H2,1-2H3
InChIKeySAVNXPDVDKRJOC-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185258
3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
CID 64891799
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
CID 79854733
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
CID 64891774
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
3-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64891551

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide (CID 64891208) is 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide is CCc1ccc(N(C)C(=O)C2(N)CCOC2)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide?
The InChIKey is SAVNXPDVDKRJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-4-6-12(7-5-11)16(2)13(17)14(15)8-9-18-10-14/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide?
3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64891208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).