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

C12H16N2O — CID 61006087

IUPAC1-(4-methylanilino)cyclobutane-1-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCC2)cc1
InChIInChI=1S/C12H16N2O/c1-9-3-5-10(6-4-9)14-12(11(13)15)7-2-8-12/h3-6,14H,2,7-8H2,1H3,(H2,13,15)
InChIKeyGGOPKQMFJVXONY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds3

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

1-(4-methylanilino)cyclobutane-1-carboxamide (PubChem CID 61006087) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-methylanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylanilino)cyclobutane-1-carboxamide
PubChem CID61006087
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-methylanilino)cyclobutane-1-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCC2)cc1
InChIInChI=1S/C12H16N2O/c1-9-3-5-10(6-4-9)14-12(11(13)15)7-2-8-12/h3-6,14H,2,7-8H2,1H3,(H2,13,15)
InChIKeyGGOPKQMFJVXONY-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylanilino)thiane-4-carboxamide
CID 61318390
3-(4-methylanilino)thiane-3-carboxamide
CID 62872924
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
CID 61005719
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
CID 106822432
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
4-(4-methylanilino)oxepane-4-carboxylic acid
CID 65079627
1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
3-cyclopropyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 64624031

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylanilino)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-methylanilino)cyclobutane-1-carboxamide (CID 61006087) is 1-(4-methylanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-methylanilino)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-methylanilino)cyclobutane-1-carboxamide is Cc1ccc(NC2(C(N)=O)CCC2)cc1.
What is the InChIKey of 1-(4-methylanilino)cyclobutane-1-carboxamide?
The InChIKey is GGOPKQMFJVXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-5-10(6-4-9)14-12(11(13)15)7-2-8-12/h3-6,14H,2,7-8H2,1H3,(H2,13,15).
What are the key properties of 1-(4-methylanilino)cyclobutane-1-carboxamide?
1-(4-methylanilino)cyclobutane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 61006087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).