N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide

C19H20N4O2 — CID 95289334

IUPACN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCc1nnc([C@H](NC(=O)Cc2cccc(O)c2)c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-13-21-22-19(23(13)2)18(15-8-4-3-5-9-15)20-17(25)12-14-7-6-10-16(24)11-14/h3-11,18,24H,12H2,1-2H3,(H,20,25)/t18-/m1/s1
InChIKeyYDBSGRZFRHNQPM-GOSISDBHSA-N
MW336.40 g/mol
LogP2.28
Rot. Bonds5

About N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide

N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 95289334) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID95289334
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCc1nnc([C@H](NC(=O)Cc2cccc(O)c2)c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-13-21-22-19(23(13)2)18(15-8-4-3-5-9-15)20-17(25)12-14-7-6-10-16(24)11-14/h3-11,18,24H,12H2,1-2H3,(H,20,25)/t18-/m1/s1
InChIKeyYDBSGRZFRHNQPM-GOSISDBHSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide (CID 95289334) is N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide is Cc1nnc([C@H](NC(=O)Cc2cccc(O)c2)c2ccccc2)n1C.
What is the InChIKey of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is YDBSGRZFRHNQPM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-21-22-19(23(13)2)18(15-8-4-3-5-9-15)20-17(25)12-14-7-6-10-16(24)11-14/h3-11,18,24H,12H2,1-2H3,(H,20,25)/t18-/m1/s1.
What are the key properties of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide?
N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 95289334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).