[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C22H20N4O3 — CID 18205918

IUPAC[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1nnc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C22H20N4O3/c1-15(17-10-6-8-16-7-2-3-9-18(16)17)23-21(27)14-29-22(28)13-26-20-12-5-4-11-19(20)24-25-26/h2-12,15H,13-14H2,1H3,(H,23,27)
InChIKeyLKGJNFAEGBGFRL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.01
Rot. Bonds6

About [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 18205918) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID18205918
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1nnc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C22H20N4O3/c1-15(17-10-6-8-16-7-2-3-9-18(16)17)23-21(27)14-29-22(28)13-26-20-12-5-4-11-19(20)24-25-26/h2-12,15H,13-14H2,1H3,(H,23,27)
InChIKeyLKGJNFAEGBGFRL-UHFFFAOYSA-N
XLogP3.01
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19468957
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55398862
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943

Frequently Asked Questions

What is the IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 18205918) is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is CC(NC(=O)COC(=O)Cn1nnc2ccccc21)c1cccc2ccccc12.
What is the InChIKey of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is LKGJNFAEGBGFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(17-10-6-8-16-7-2-3-9-18(16)17)23-21(27)14-29-22(28)13-26-20-12-5-4-11-19(20)24-25-26/h2-12,15H,13-14H2,1H3,(H,23,27).
What are the key properties of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 388.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 18205918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).