3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide

C18H19N5O2 — CID 742329

IUPAC3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccccc1C=NNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C18H19N5O2/c1-2-25-17-10-6-3-7-14(17)13-19-21-18(24)11-12-23-16-9-5-4-8-15(16)20-22-23/h3-10,13H,2,11-12H2,1H3,(H,21,24)
InChIKeyMCOUQKKYQJZNHT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.37
Rot. Bonds7

About 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide

3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide (PubChem CID 742329) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide
PubChem CID742329
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccccc1C=NNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C18H19N5O2/c1-2-25-17-10-6-3-7-14(17)13-19-21-18(24)11-12-23-16-9-5-4-8-15(16)20-22-23/h3-10,13H,2,11-12H2,1H3,(H,21,24)
InChIKeyMCOUQKKYQJZNHT-UHFFFAOYSA-N
XLogP2.37
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzotriazol-1-yl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
CID 136757604
3-(benzotriazol-1-yl)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]propanamide
CID 3703336
3-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
CID 135490295
3-(benzotriazol-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136721169
3-(benzotriazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5424041
N-[(2-ethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354019
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
3-(benzotriazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135635859
3-(benzotriazol-1-yl)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 742345
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 1172876
3-(benzotriazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5424028

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide (CID 742329) is 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide is CCOc1ccccc1C=NNC(=O)CCn1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide?
The InChIKey is MCOUQKKYQJZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-17-10-6-3-7-14(17)13-19-21-18(24)11-12-23-16-9-5-4-8-15(16)20-22-23/h3-10,13H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide?
3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 742329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).