N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide

C32H26N4O — CID 23098158

IUPACN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26N4O/c1-22-20-28-29(35-36(34-28)30-19-11-13-23-12-9-10-18-26(23)30)21-27(22)33-31(37)32(2,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h3-21H,1-2H3,(H,33,37)
InChIKeyAWSVQZABRSUXHG-UHFFFAOYSA-N
MW482.59 g/mol
LogP6.83
Rot. Bonds5

About N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide

N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide (PubChem CID 23098158) has the molecular formula C32H26N4O and a molecular weight of 482.59 g/mol. Its IUPAC name is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide
PubChem CID23098158
Molecular FormulaC32H26N4O
Molecular Weight482.59 g/mol
Exact Mass482.21
IUPAC NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26N4O/c1-22-20-28-29(35-36(34-28)30-19-11-13-23-12-9-10-18-26(23)30)21-27(22)33-31(37)32(2,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h3-21H,1-2H3,(H,33,37)
InChIKeyAWSVQZABRSUXHG-UHFFFAOYSA-N
XLogP6.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
CID 23096402
2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 23095277
4-chloro-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 23096867
5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 22781544
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2-(4-nitrophenoxy)acetamide
CID 1291742
iridium;bis(5-methyl-2-naphthalen-1-ylbenzotriazole);2,2,6,6-tetramethylheptane-3,5-dione
CID 25032664
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
CID 2067775
(E)-3-(4-chloro-3-nitrophenyl)-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
CID 23098313
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
2,2,2-trichloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 17111135
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
CID 1121659

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide?
The IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide (CID 23098158) is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide.
What is the SMILES notation for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide?
The canonical SMILES for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide is Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide?
The InChIKey is AWSVQZABRSUXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O/c1-22-20-28-29(35-36(34-28)30-19-11-13-23-12-9-10-18-26(23)30)21-27(22)33-31(37)32(2,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h3-21H,1-2H3,(H,33,37).
What are the key properties of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide?
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide has a molecular weight of 482.59 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide is sourced from PubChem (CID 23098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).