(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide

C26H26N4O2 — CID 1213715

IUPAC(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)cc3n2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-22-14-12-21(13-15-22)30-28-23-16-11-20(17-24(23)29-30)27-26(31)25(19-9-5-6-10-19)18-7-3-2-4-8-18/h2-4,7-8,11-17,19,25H,5-6,9-10H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyMLWQAOJPWUQRLA-VWLOTQADSA-N
MW426.52 g/mol
LogP5.34
Rot. Bonds6

About (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide

(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide (PubChem CID 1213715) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
PubChem CID1213715
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)cc3n2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-22-14-12-21(13-15-22)30-28-23-16-11-20(17-24(23)29-30)27-26(31)25(19-9-5-6-10-19)18-7-3-2-4-8-18/h2-4,7-8,11-17,19,25H,5-6,9-10H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyMLWQAOJPWUQRLA-VWLOTQADSA-N
XLogP5.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-(4-methoxyphenoxy)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide
CID 1048153
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
(E)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1369419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide (CID 1213715) is (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide is COc1ccc(-n2nc3ccc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)cc3n2)cc1.
What is the InChIKey of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The InChIKey is MLWQAOJPWUQRLA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-22-14-12-21(13-15-22)30-28-23-16-11-20(17-24(23)29-30)27-26(31)25(19-9-5-6-10-19)18-7-3-2-4-8-18/h2-4,7-8,11-17,19,25H,5-6,9-10H2,1H3,(H,27,31)/t25-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide has a molecular weight of 426.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 1213715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).