N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

C26H29N3O2 — CID 54811860

IUPACN-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-17-13-18(2)25(19(3)14-17)27-16-24(30)29-23-12-8-11-22(15-23)26(31)28-20(4)21-9-6-5-7-10-21/h5-15,20,27H,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyOVTQJQPQZVEXQA-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.15
Rot. Bonds7

About N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (PubChem CID 54811860) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
PubChem CID54811860
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-17-13-18(2)25(19(3)14-17)27-16-24(30)29-23-12-8-11-22(15-23)26(31)28-20(4)21-9-6-5-7-10-21/h5-15,20,27H,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyOVTQJQPQZVEXQA-UHFFFAOYSA-N
XLogP5.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841883
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (CID 54811860) is N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is Cc1cc(C)c(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c(C)c1.
What is the InChIKey of N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The InChIKey is OVTQJQPQZVEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17-13-18(2)25(19(3)14-17)27-16-24(30)29-23-12-8-11-22(15-23)26(31)28-20(4)21-9-6-5-7-10-21/h5-15,20,27H,16H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54811860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).