2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide

C21H27NO — CID 100710084

IUPAC2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
SMILESCc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C21H27NO/c1-14(2)11-20(18-9-7-6-8-10-18)22-21(23)19-13-16(4)15(3)12-17(19)5/h6-10,12-14,20H,11H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyLNOSVYTTZFKJHF-FQEVSTJZSA-N
MW309.45 g/mol
LogP5.13
Rot. Bonds5

About 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide

2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide (PubChem CID 100710084) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
PubChem CID100710084
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
SMILESCc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C21H27NO/c1-14(2)11-20(18-9-7-6-8-10-18)22-21(23)19-13-16(4)15(3)12-17(19)5/h6-10,12-14,20H,11H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyLNOSVYTTZFKJHF-FQEVSTJZSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide (CID 100710084) is 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide is Cc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The InChIKey is LNOSVYTTZFKJHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO/c1-14(2)11-20(18-9-7-6-8-10-18)22-21(23)19-13-16(4)15(3)12-17(19)5/h6-10,12-14,20H,11H2,1-5H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide has a molecular weight of 309.45 g/mol, XLogP of 5.13, 5 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-[(1S)-3-methyl-1-phenylbutyl]benzamide is sourced from PubChem (CID 100710084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).