2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide

C15H23NO — CID 133250246

IUPAC2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-9(2)13(6)16-15(17)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3,(H,16,17)
InChIKeyCDNUZICAJCEIBL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.39
Rot. Bonds3

About 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide

2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 133250246) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID133250246
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-9(2)13(6)16-15(17)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3,(H,16,17)
InChIKeyCDNUZICAJCEIBL-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide (CID 133250246) is 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide is Cc1cc(C)c(C(=O)NC(C)C(C)C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is CDNUZICAJCEIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-9(2)13(6)16-15(17)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3,(H,16,17).
What are the key properties of 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide?
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 233.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 133250246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).