3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide

C21H28N2O — CID 109035942

IUPAC3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H28N2O/c1-15-7-6-8-19(16(15)2)23-20(24)13-14-22-18-11-9-17(10-12-18)21(3,4)5/h6-12,22H,13-14H2,1-5H3,(H,23,24)
InChIKeyBQIQCNKRONFROU-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.04
Rot. Bonds5

About 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide

3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109035942) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID109035942
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H28N2O/c1-15-7-6-8-19(16(15)2)23-20(24)13-14-22-18-11-9-17(10-12-18)21(3,4)5/h6-12,22H,13-14H2,1-5H3,(H,23,24)
InChIKeyBQIQCNKRONFROU-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
CID 109035957
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide (CID 109035942) is 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is BQIQCNKRONFROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15-7-6-8-19(16(15)2)23-20(24)13-14-22-18-11-9-17(10-12-18)21(3,4)5/h6-12,22H,13-14H2,1-5H3,(H,23,24).
What are the key properties of 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide?
3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).