2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide

C18H20N4O — CID 51189619

IUPAC2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-3-14-8-10-15(11-9-14)13(2)19-18(23)12-22-17-7-5-4-6-16(17)20-21-22/h4-11,13H,3,12H2,1-2H3,(H,19,23)
InChIKeyZUAZXMLHLDINSW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 51189619) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID51189619
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-3-14-8-10-15(11-9-14)13(2)19-18(23)12-22-17-7-5-4-6-16(17)20-21-22/h4-11,13H,3,12H2,1-2H3,(H,19,23)
InChIKeyZUAZXMLHLDINSW-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(benzotriazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8025608
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134012965
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19468957
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 134035226
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 115459105
methyl (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 51532512

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 51189619) is 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is ZUAZXMLHLDINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-14-8-10-15(11-9-14)13(2)19-18(23)12-22-17-7-5-4-6-16(17)20-21-22/h4-11,13H,3,12H2,1-2H3,(H,19,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 51189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).