4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide

C22H28N2O2 — CID 7946952

IUPAC4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C22H28N2O2/c1-15-7-6-8-19(16(15)2)24-20(25)13-14-23-21(26)17-9-11-18(12-10-17)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGUGXNLPKXJUNLU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.36
Rot. Bonds5

About 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide

4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide (PubChem CID 7946952) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
PubChem CID7946952
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C22H28N2O2/c1-15-7-6-8-19(16(15)2)24-20(25)13-14-23-21(26)17-9-11-18(12-10-17)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGUGXNLPKXJUNLU-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
CID 7926606
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide (CID 7946952) is 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide is Cc1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide?
The InChIKey is GUGXNLPKXJUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-7-6-8-19(16(15)2)24-20(25)13-14-23-21(26)17-9-11-18(12-10-17)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7946952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).