1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide

C23H22N4O3 — CID 17427457

IUPAC1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc(OC)c(-c4ccc(OC)cc4)c3)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-27-21-11-7-16(13-20(21)25-26-27)23(28)24-17-8-12-22(30-3)19(14-17)15-5-9-18(29-2)10-6-15/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyXTONDJAZCRUPFW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.39
Rot. Bonds6

About 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide (PubChem CID 17427457) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
PubChem CID17427457
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc(OC)c(-c4ccc(OC)cc4)c3)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-27-21-11-7-16(13-20(21)25-26-27)23(28)24-17-8-12-22(30-3)19(14-17)15-5-9-18(29-2)10-6-15/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyXTONDJAZCRUPFW-UHFFFAOYSA-N
XLogP4.39
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]benzotriazole-5-carboxamide
CID 60516536
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 41166837
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide (CID 17427457) is 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccc(OC)c(-c4ccc(OC)cc4)c3)ccc21.
What is the InChIKey of 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide?
The InChIKey is XTONDJAZCRUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-4-27-21-11-7-16(13-20(21)25-26-27)23(28)24-17-8-12-22(30-3)19(14-17)15-5-9-18(29-2)10-6-15/h5-14H,4H2,1-3H3,(H,24,28).
What are the key properties of 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 17427457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).