2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide

C23H23N5O — CID 156907082

IUPAC2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
InChIKeyKOZCSUYCMLWBNN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.73
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide

2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 156907082) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID156907082
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
InChIKeyKOZCSUYCMLWBNN-UHFFFAOYSA-N
XLogP3.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide (CID 156907082) is 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is KOZCSUYCMLWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 156907082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).