N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C19H21N5O2 — CID 24657521

IUPACN-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)18(26)21-14-8-6-7-13(11-14)20-17(25)12-24-16-10-5-4-9-15(16)22-23-24/h4-11H,12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDGHUNAMPZPMEMP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 24657521) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID24657521
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)18(26)21-14-8-6-7-13(11-14)20-17(25)12-24-16-10-5-4-9-15(16)22-23-24/h4-11H,12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDGHUNAMPZPMEMP-UHFFFAOYSA-N
XLogP3.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 46820366
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
CID 863088
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
CID 848903

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 24657521) is N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)Cn2nnc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is DGHUNAMPZPMEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)18(26)21-14-8-6-7-13(11-14)20-17(25)12-24-16-10-5-4-9-15(16)22-23-24/h4-11H,12H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24657521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).