N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide

C24H23N5O3 — CID 71721586

IUPACN-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide
SMILESCOc1cccc(CCn2cc(-c3ccc(C(=O)Nc4ccccc4N)cc3)nn2)c1O
InChIInChI=1S/C24H23N5O3/c1-32-22-8-4-5-17(23(22)30)13-14-29-15-21(27-28-29)16-9-11-18(12-10-16)24(31)26-20-7-3-2-6-19(20)25/h2-12,15,30H,13-14,25H2,1H3,(H,26,31)
InChIKeyKYHLTQSMIHGZEJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.74
Rot. Bonds7

About N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide

N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide (PubChem CID 71721586) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide
PubChem CID71721586
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide
SMILESCOc1cccc(CCn2cc(-c3ccc(C(=O)Nc4ccccc4N)cc3)nn2)c1O
InChIInChI=1S/C24H23N5O3/c1-32-22-8-4-5-17(23(22)30)13-14-29-15-21(27-28-29)16-9-11-18(12-10-16)24(31)26-20-7-3-2-6-19(20)25/h2-12,15,30H,13-14,25H2,1H3,(H,26,31)
InChIKeyKYHLTQSMIHGZEJ-UHFFFAOYSA-N
XLogP3.74
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-[3-methoxy-2-(2-methoxyacetyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide (CID 71721586) is N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide is COc1cccc(CCn2cc(-c3ccc(C(=O)Nc4ccccc4N)cc3)nn2)c1O.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide?
The InChIKey is KYHLTQSMIHGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-32-22-8-4-5-17(23(22)30)13-14-29-15-21(27-28-29)16-9-11-18(12-10-16)24(31)26-20-7-3-2-6-19(20)25/h2-12,15,30H,13-14,25H2,1H3,(H,26,31).
What are the key properties of N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide?
N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide is sourced from PubChem (CID 71721586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).