2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

C18H18N4O2 — CID 97244726

IUPAC2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H18N4O2/c1-13(20-18(24)12-14-3-2-4-17(23)11-14)15-5-7-16(8-6-15)22-10-9-19-21-22/h2-11,13,23H,12H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyYGMMOTJTIVQXFD-ZDUSSCGKSA-N
MW322.37 g/mol
LogP2.39
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 97244726) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID97244726
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H18N4O2/c1-13(20-18(24)12-14-3-2-4-17(23)11-14)15-5-7-16(8-6-15)22-10-9-19-21-22/h2-11,13,23H,12H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyYGMMOTJTIVQXFD-ZDUSSCGKSA-N
XLogP2.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (CID 97244726) is 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is YGMMOTJTIVQXFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(20-18(24)12-14-3-2-4-17(23)11-14)15-5-7-16(8-6-15)22-10-9-19-21-22/h2-11,13,23H,12H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 97244726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).