N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide

C22H29NO — CID 133230614

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H29NO/c1-14-12-16(3)20(13-15(14)2)21(24)23-17(4)18-8-10-19(11-9-18)22(5,6)7/h8-13,17H,1-7H3,(H,23,24)
InChIKeyLVPOLYJUFAEVDG-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.40
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide

N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide (PubChem CID 133230614) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
PubChem CID133230614
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H29NO/c1-14-12-16(3)20(13-15(14)2)21(24)23-17(4)18-8-10-19(11-9-18)22(5,6)7/h8-13,17H,1-7H3,(H,23,24)
InChIKeyLVPOLYJUFAEVDG-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 100526550
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide (CID 133230614) is N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The InChIKey is LVPOLYJUFAEVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-14-12-16(3)20(13-15(14)2)21(24)23-17(4)18-8-10-19(11-9-18)22(5,6)7/h8-13,17H,1-7H3,(H,23,24).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide?
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide has a molecular weight of 323.48 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 133230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).