N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide

C23H22N4O4 — CID 53085132

IUPACN-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1cccc(Cn2nnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc32)c1
InChIInChI=1S/C23H22N4O4/c1-29-18-6-4-5-15(11-18)14-27-20-9-7-16(12-19(20)25-26-27)23(28)24-17-8-10-21(30-2)22(13-17)31-3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyIOHPPPCGDQRYBZ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.76
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide

N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53085132) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53085132
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1cccc(Cn2nnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc32)c1
InChIInChI=1S/C23H22N4O4/c1-29-18-6-4-5-15(11-18)14-27-20-9-7-16(12-19(20)25-26-27)23(28)24-17-8-10-21(30-2)22(13-17)31-3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyIOHPPPCGDQRYBZ-UHFFFAOYSA-N
XLogP3.76
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)benzotriazole-5-carboxamide
CID 53111371
1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide
CID 20973184
N-cyclohexyl-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111392
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
1-[(3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzotriazole-5-carboxamide
CID 53199623
1-[(3-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)benzotriazole-5-carboxamide
CID 53111369
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
[1-[(3-methoxyphenyl)methyl]benzotriazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53111343
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide (CID 53085132) is N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide is COc1cccc(Cn2nnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc32)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is IOHPPPCGDQRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-29-18-6-4-5-15(11-18)14-27-20-9-7-16(12-19(20)25-26-27)23(28)24-17-8-10-21(30-2)22(13-17)31-3/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53085132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).