N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide

C17H17N5O2 — CID 24682012

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H17N5O2/c1-10-4-3-5-11(2)16(10)19-15(23)9-18-17(24)12-6-7-13-14(8-12)21-22-20-13/h3-8H,9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyJZNDJSJZFWLGDC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 24682012) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
PubChem CID24682012
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H17N5O2/c1-10-4-3-5-11(2)16(10)19-15(23)9-18-17(24)12-6-7-13-14(8-12)21-22-20-13/h3-8H,9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyJZNDJSJZFWLGDC-UHFFFAOYSA-N
XLogP1.94
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997392
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 27718933
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide (CID 24682012) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is JZNDJSJZFWLGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-4-3-5-11(2)16(10)19-15(23)9-18-17(24)12-6-7-13-14(8-12)21-22-20-13/h3-8H,9H2,1-2H3,(H,18,24)(H,19,23)(H,20,21,22).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 24682012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).