1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide

C22H21N5O2 — CID 8013290

IUPAC1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3Nc3ccc(OC)cc3)ccc21
InChIInChI=1S/C22H21N5O2/c1-3-27-21-13-8-15(14-20(21)25-26-27)22(28)24-19-7-5-4-6-18(19)23-16-9-11-17(29-2)12-10-16/h4-14,23H,3H2,1-2H3,(H,24,28)
InChIKeyMGLGXUYCMKTCGB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.46
Rot. Bonds6

About 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide (PubChem CID 8013290) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
PubChem CID8013290
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3Nc3ccc(OC)cc3)ccc21
InChIInChI=1S/C22H21N5O2/c1-3-27-21-13-8-15(14-20(21)25-26-27)22(28)24-19-7-5-4-6-18(19)23-16-9-11-17(29-2)12-10-16/h4-14,23H,3H2,1-2H3,(H,24,28)
InChIKeyMGLGXUYCMKTCGB-UHFFFAOYSA-N
XLogP4.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide (CID 8013290) is 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3Nc3ccc(OC)cc3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide?
The InChIKey is MGLGXUYCMKTCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-27-21-13-8-15(14-20(21)25-26-27)22(28)24-19-7-5-4-6-18(19)23-16-9-11-17(29-2)12-10-16/h4-14,23H,3H2,1-2H3,(H,24,28).
What are the key properties of 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 8013290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).