N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide

C20H25NO — CID 100712064

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H25NO/c1-6-17-7-9-18(10-8-17)16(5)21-20(22)19-12-14(3)13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyKXOAEAWAEFQFGK-INIZCTEOSA-N
MW295.43 g/mol
LogP4.67
Rot. Bonds4

About N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide (PubChem CID 100712064) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
PubChem CID100712064
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H25NO/c1-6-17-7-9-18(10-8-17)16(5)21-20(22)19-12-14(3)13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyKXOAEAWAEFQFGK-INIZCTEOSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 93234815
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide (CID 100712064) is N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide is CCc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The InChIKey is KXOAEAWAEFQFGK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO/c1-6-17-7-9-18(10-8-17)16(5)21-20(22)19-12-14(3)13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide has a molecular weight of 295.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100712064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).