3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide

C16H22N4O3 — CID 125177563

IUPAC3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C16H22N4O3/c1-12(16-19-17-11-20(16)9-10-23-2)18-15(22)8-5-13-3-6-14(21)7-4-13/h3-4,6-7,11-12,21H,5,8-10H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyRKZODXVRKGIZAJ-LBPRGKRZSA-N
MW318.38 g/mol
LogP1.44
Rot. Bonds8

About 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide

3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide (PubChem CID 125177563) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
PubChem CID125177563
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C16H22N4O3/c1-12(16-19-17-11-20(16)9-10-23-2)18-15(22)8-5-13-3-6-14(21)7-4-13/h3-4,6-7,11-12,21H,5,8-10H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyRKZODXVRKGIZAJ-LBPRGKRZSA-N
XLogP1.44
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118780951
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97192390
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97118047
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide (CID 125177563) is 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide is COCCn1cnnc1[C@H](C)NC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide?
The InChIKey is RKZODXVRKGIZAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(16-19-17-11-20(16)9-10-23-2)18-15(22)8-5-13-3-6-14(21)7-4-13/h3-4,6-7,11-12,21H,5,8-10H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide?
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 125177563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).