1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide

C19H22N6O2 — CID 31886468

IUPAC1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(NC(=O)NC(C)C)c3)ccc21
InChIInChI=1S/C19H22N6O2/c1-4-25-17-9-8-13(10-16(17)23-24-25)18(26)21-14-6-5-7-15(11-14)22-19(27)20-12(2)3/h5-12H,4H2,1-3H3,(H,21,26)(H2,20,22,27)
InChIKeyDILJAROCNOAFRP-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.23
Rot. Bonds5

About 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide (PubChem CID 31886468) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
PubChem CID31886468
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(NC(=O)NC(C)C)c3)ccc21
InChIInChI=1S/C19H22N6O2/c1-4-25-17-9-8-13(10-16(17)23-24-25)18(26)21-14-6-5-7-15(11-14)22-19(27)20-12(2)3/h5-12H,4H2,1-3H3,(H,21,26)(H2,20,22,27)
InChIKeyDILJAROCNOAFRP-UHFFFAOYSA-N
XLogP3.23
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
N-(3-cyclopentyloxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 30806337
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
methyl 3-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121135
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 26499294
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide (CID 31886468) is 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cccc(NC(=O)NC(C)C)c3)ccc21.
What is the InChIKey of 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide?
The InChIKey is DILJAROCNOAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-25-17-9-8-13(10-16(17)23-24-25)18(26)21-14-6-5-7-15(11-14)22-19(27)20-12(2)3/h5-12H,4H2,1-3H3,(H,21,26)(H2,20,22,27).
What are the key properties of 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 31886468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).