N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide

C17H18N4O3 — CID 8892033

IUPACN-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc21
InChIInChI=1S/C17H18N4O3/c1-4-21-16-6-5-11(7-15(16)19-20-21)17(22)18-12-8-13(23-2)10-14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyLBKIKVSAJQGTOF-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide

N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide (PubChem CID 8892033) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
PubChem CID8892033
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc21
InChIInChI=1S/C17H18N4O3/c1-4-21-16-6-5-11(7-15(16)19-20-21)17(22)18-12-8-13(23-2)10-14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyLBKIKVSAJQGTOF-UHFFFAOYSA-N
XLogP2.72
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-methyl-1H-benzotriazole-5-carboxamide
CID 1088600
Propan-2-yl 4-[(1-ethylbenzotriazole-5-carbonyl)amino]benzoate
CID 9100473
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
CID 16024634
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-2H-benzotriazole-5-carboxamide
CID 16746138
N-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
N-[4-[4-(3-Fluoro-5-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589378
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
N-(3-methoxyphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 3163527
6-(2,6-dimethoxyphenyl)-1-((1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methyl)piperidin-2-one
CID 86695653
1-cyclopentyl-N-(4-ethoxyphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024626
1-cyclopentyl-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024658

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide (CID 8892033) is N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc21.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is LBKIKVSAJQGTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-21-16-6-5-11(7-15(16)19-20-21)17(22)18-12-8-13(23-2)10-14(9-12)24-3/h5-10H,4H2,1-3H3,(H,18,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 8892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).