2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide

C17H18N4O — CID 2996615

IUPAC2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-17(2,3)16(22)18-12-9-10-14-15(11-12)20-21(19-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)
InChIKeyYQBLXPRQDZPULG-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.41
Rot. Bonds2

About 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide

2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide (PubChem CID 2996615) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide
PubChem CID2996615
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-17(2,3)16(22)18-12-9-10-14-15(11-12)20-21(19-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)
InChIKeyYQBLXPRQDZPULG-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide (CID 2996615) is 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide is CC(C)(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The InChIKey is YQBLXPRQDZPULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,3)16(22)18-12-9-10-14-15(11-12)20-21(19-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide has a molecular weight of 294.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenylbenzotriazol-5-yl)propanamide is sourced from PubChem (CID 2996615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).