3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide

C13H18N2O — CID 103563298

IUPAC3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
SMILESCc1cccc(NC2(C(N)=O)CC(C)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-4-3-5-11(6-9)15-13(12(14)16)7-10(2)8-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyVVDAHQHTXOBUSU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.06
Rot. Bonds3

About 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide

3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide (PubChem CID 103563298) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
PubChem CID103563298
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
SMILESCc1cccc(NC2(C(N)=O)CC(C)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-4-3-5-11(6-9)15-13(12(14)16)7-10(2)8-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyVVDAHQHTXOBUSU-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
4-(3-methylanilino)-1,1-dioxothiane-4-carboxamide
CID 54983212
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
CID 103563294
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
3-(3-chloroanilino)-5-methylthiolane-3-carboxamide
CID 79950716
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
1-(3-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60992999
methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 60994641
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
CID 64750715

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide?
The IUPAC name of 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide (CID 103563298) is 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide?
The canonical SMILES for 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide is Cc1cccc(NC2(C(N)=O)CC(C)C2)c1.
What is the InChIKey of 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide?
The InChIKey is VVDAHQHTXOBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-3-5-11(6-9)15-13(12(14)16)7-10(2)8-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide?
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 103563298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).