2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide

C15H23N5O — CID 125435937

IUPAC2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)[C@H](CNC(=O)Cn1nc2ccccc2n1)N(C)C
InChIInChI=1S/C15H23N5O/c1-11(2)14(19(3)4)9-16-15(21)10-20-17-12-7-5-6-8-13(12)18-20/h5-8,11,14H,9-10H2,1-4H3,(H,16,21)/t14-/m0/s1
InChIKeyIVKKDXSVMSYVIZ-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.13
Rot. Bonds6

About 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide

2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide (PubChem CID 125435937) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide
PubChem CID125435937
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)[C@H](CNC(=O)Cn1nc2ccccc2n1)N(C)C
InChIInChI=1S/C15H23N5O/c1-11(2)14(19(3)4)9-16-15(21)10-20-17-12-7-5-6-8-13(12)18-20/h5-8,11,14H,9-10H2,1-4H3,(H,16,21)/t14-/m0/s1
InChIKeyIVKKDXSVMSYVIZ-AWEZNQCLSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide (CID 125435937) is 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide is CC(C)[C@H](CNC(=O)Cn1nc2ccccc2n1)N(C)C.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide?
The InChIKey is IVKKDXSVMSYVIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)14(19(3)4)9-16-15(21)10-20-17-12-7-5-6-8-13(12)18-20/h5-8,11,14H,9-10H2,1-4H3,(H,16,21)/t14-/m0/s1.
What are the key properties of 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide?
2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide is sourced from PubChem (CID 125435937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).