3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide

C18H25N3O3 — CID 111458777

IUPAC3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C18H25N3O3/c1-4-24-16-8-6-5-7-14(16)9-10-17(22)19-13-18(2,23)15-11-20-21(3)12-15/h5-8,11-12,23H,4,9-10,13H2,1-3H3,(H,19,22)
InChIKeyRZLUCPKEPNXJRN-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.78
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide

3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 111458777) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID111458777
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C18H25N3O3/c1-4-24-16-8-6-5-7-14(16)9-10-17(22)19-13-18(2,23)15-11-20-21(3)12-15/h5-8,11-12,23H,4,9-10,13H2,1-3H3,(H,19,22)
InChIKeyRZLUCPKEPNXJRN-UHFFFAOYSA-N
XLogP1.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111519834
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
CID 111458568
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458289
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (CID 111458777) is 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is CCOc1ccccc1CCC(=O)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is RZLUCPKEPNXJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-24-16-8-6-5-7-14(16)9-10-17(22)19-13-18(2,23)15-11-20-21(3)12-15/h5-8,11-12,23H,4,9-10,13H2,1-3H3,(H,19,22).
What are the key properties of 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 111458777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).