3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide

C13H18N2O2 — CID 106822432

IUPAC3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
SMILESCOC1CC(Nc2ccc(C)cc2)(C(N)=O)C1
InChIInChI=1S/C13H18N2O2/c1-9-3-5-10(6-4-9)15-13(12(14)16)7-11(8-13)17-2/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyQZDSXKZIPWKUFF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds4

About 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide

3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide (PubChem CID 106822432) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
PubChem CID106822432
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
SMILESCOC1CC(Nc2ccc(C)cc2)(C(N)=O)C1
InChIInChI=1S/C13H18N2O2/c1-9-3-5-10(6-4-9)15-13(12(14)16)7-11(8-13)17-2/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyQZDSXKZIPWKUFF-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
CID 106822441
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
4-(4-methylanilino)thiane-4-carboxamide
CID 61318390
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
CID 103563294
2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide
CID 106661438
3-(4-methylanilino)thiane-3-carboxamide
CID 62872924
4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
CID 61005719
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
1-(cyclopentylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822486

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide?
The IUPAC name of 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide (CID 106822432) is 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide?
The canonical SMILES for 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide is COC1CC(Nc2ccc(C)cc2)(C(N)=O)C1.
What is the InChIKey of 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide?
The InChIKey is QZDSXKZIPWKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-5-10(6-4-9)15-13(12(14)16)7-11(8-13)17-2/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide?
3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 106822432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).