3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide

C17H17N5O2 — CID 949797

IUPAC3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCn1nnc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H17N5O2/c1-12(13-6-2-5-9-16(13)23)18-20-17(24)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,23H,10-11H2,1H3,(H,20,24)
InChIKeyBNRJUQRSAPQSRB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.07
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide

3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide (PubChem CID 949797) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
PubChem CID949797
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCn1nnc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H17N5O2/c1-12(13-6-2-5-9-16(13)23)18-20-17(24)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,23H,10-11H2,1H3,(H,20,24)
InChIKeyBNRJUQRSAPQSRB-UHFFFAOYSA-N
XLogP2.07
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(1-thiophen-2-ylethylideneamino)propanamide
CID 742351
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
3-(benzotriazol-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136721169
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
CID 8975909
3-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
CID 135490295
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
3-(benzotriazol-1-yl)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 742345
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
3-(benzotriazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5424041
3-(benzotriazol-1-yl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
CID 136757604

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide (CID 949797) is 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide is CC(=NNC(=O)CCn1nnc2ccccc21)c1ccccc1O.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The InChIKey is BNRJUQRSAPQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(13-6-2-5-9-16(13)23)18-20-17(24)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,23H,10-11H2,1H3,(H,20,24).
What are the key properties of 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide?
3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 949797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).