3-methyl-4-[(3-methylcyclobutyl)amino]benzamide

C13H18N2O — CID 103561285

IUPAC3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC1CC(C)C1
InChIInChI=1S/C13H18N2O/c1-8-5-11(6-8)15-12-4-3-10(13(14)16)7-9(12)2/h3-4,7-8,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyJZMLVBIDUBBMKG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.30
Rot. Bonds3

About 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide

3-methyl-4-[(3-methylcyclobutyl)amino]benzamide (PubChem CID 103561285) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
PubChem CID103561285
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC1CC(C)C1
InChIInChI=1S/C13H18N2O/c1-8-5-11(6-8)15-12-4-3-10(13(14)16)7-9(12)2/h3-4,7-8,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyJZMLVBIDUBBMKG-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727685
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
CID 103561331
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
methyl 3-methyl-4-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561438
N,3-dimethyl-4-[(3-propan-2-ylcyclobutyl)amino]benzamide
CID 103561516
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide?
The IUPAC name of 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide (CID 103561285) is 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide.
What is the SMILES notation for 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide?
The canonical SMILES for 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide is Cc1cc(C(N)=O)ccc1NC1CC(C)C1.
What is the InChIKey of 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide?
The InChIKey is JZMLVBIDUBBMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-11(6-8)15-12-4-3-10(13(14)16)7-9(12)2/h3-4,7-8,11,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide?
3-methyl-4-[(3-methylcyclobutyl)amino]benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylcyclobutyl)amino]benzamide is sourced from PubChem (CID 103561285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).