N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide

C19H22N2O — CID 112986454

IUPACN-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCC3)cc2)c1C
InChIInChI=1S/C19H22N2O/c1-13-5-3-8-18(14(13)2)20-16-9-11-17(12-10-16)21-19(22)15-6-4-7-15/h3,5,8-12,15,20H,4,6-7H2,1-2H3,(H,21,22)
InChIKeyCTVMOHZGSCQKMX-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.79
Rot. Bonds4

About N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide

N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide (PubChem CID 112986454) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
PubChem CID112986454
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)C3CCC3)cc2)c1C
InChIInChI=1S/C19H22N2O/c1-13-5-3-8-18(14(13)2)20-16-9-11-17(12-10-16)21-19(22)15-6-4-7-15/h3,5,8-12,15,20H,4,6-7H2,1-2H3,(H,21,22)
InChIKeyCTVMOHZGSCQKMX-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
2-N-(4-acetamidophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141946
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide (CID 112986454) is N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide is Cc1cccc(Nc2ccc(NC(=O)C3CCC3)cc2)c1C.
What is the InChIKey of N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide?
The InChIKey is CTVMOHZGSCQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-5-3-8-18(14(13)2)20-16-9-11-17(12-10-16)21-19(22)15-6-4-7-15/h3,5,8-12,15,20H,4,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide?
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 112986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).