N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide

C19H25N5O2 — CID 134847333

IUPACN-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(NCn1nnc2ccccc21)C(C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C19H25N5O2/c25-17-11-6-12-23(17)18(14-7-2-1-3-8-14)19(26)20-13-24-16-10-5-4-9-15(16)21-22-24/h4-5,9-10,14,18H,1-3,6-8,11-13H2,(H,20,26)
InChIKeyWYRSAHPWFMYZRR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.08
Rot. Bonds5

About N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide

N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 134847333) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID134847333
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(NCn1nnc2ccccc21)C(C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C19H25N5O2/c25-17-11-6-12-23(17)18(14-7-2-1-3-8-14)19(26)20-13-24-16-10-5-4-9-15(16)21-22-24/h4-5,9-10,14,18H,1-3,6-8,11-13H2,(H,20,26)
InChIKeyWYRSAHPWFMYZRR-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 134847333) is N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(NCn1nnc2ccccc21)C(C1CCCCC1)N1CCCC1=O.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is WYRSAHPWFMYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-17-11-6-12-23(17)18(14-7-2-1-3-8-14)19(26)20-13-24-16-10-5-4-9-15(16)21-22-24/h4-5,9-10,14,18H,1-3,6-8,11-13H2,(H,20,26).
What are the key properties of N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2-cyclohexyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 134847333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).