2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide

C24H29N5O2 — CID 1168165

IUPAC2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)Cn1nnc2ccccc21)NC1CCCCC1
InChIInChI=1S/C24H29N5O2/c30-23(25-20-11-5-2-6-12-20)17-28(16-15-19-9-3-1-4-10-19)24(31)18-29-22-14-8-7-13-21(22)26-27-29/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,30)
InChIKeyDYCCQPYHDDXKNY-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.95
Rot. Bonds8

About 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide

2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide (PubChem CID 1168165) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
PubChem CID1168165
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)C(=O)Cn1nnc2ccccc21)NC1CCCCC1
InChIInChI=1S/C24H29N5O2/c30-23(25-20-11-5-2-6-12-20)17-28(16-15-19-9-3-1-4-10-19)24(31)18-29-22-14-8-7-13-21(22)26-27-29/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,30)
InChIKeyDYCCQPYHDDXKNY-UHFFFAOYSA-N
XLogP2.95
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-N-cyclohexyl-2-[3-(2-phenylethynyl)phenyl]acetamide
CID 3191850
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1155747
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-N-cyclopentyl-2-(2,5-dimethoxyphenyl)acetamide
CID 98102816
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1155707
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152283
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 23941591
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(2,3-dimethoxyphenyl)acetamide
CID 3197945

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide (CID 1168165) is 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide is O=C(CN(CCc1ccccc1)C(=O)Cn1nnc2ccccc21)NC1CCCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide?
The InChIKey is DYCCQPYHDDXKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-23(25-20-11-5-2-6-12-20)17-28(16-15-19-9-3-1-4-10-19)24(31)18-29-22-14-8-7-13-21(22)26-27-29/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,30).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide?
2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1168165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).