2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

C16H22N4O3 — CID 124756367

IUPAC2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C16H22N4O3/c1-3-20(10-14(22)12-5-4-6-13(21)9-12)11-16(23)17-15-7-8-19(2)18-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,17,18,23)/t14-/m0/s1
InChIKeySNSHYVNSTKDKDD-AWEZNQCLSA-N
MW318.38 g/mol
LogP1.12
Rot. Bonds7

About 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 124756367) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID124756367
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C16H22N4O3/c1-3-20(10-14(22)12-5-4-6-13(21)9-12)11-16(23)17-15-7-8-19(2)18-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,17,18,23)/t14-/m0/s1
InChIKeySNSHYVNSTKDKDD-AWEZNQCLSA-N
XLogP1.12
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 124756367) is 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is CCN(CC(=O)Nc1ccn(C)n1)C[C@H](O)c1cccc(O)c1.
What is the InChIKey of 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is SNSHYVNSTKDKDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-20(10-14(22)12-5-4-6-13(21)9-12)11-16(23)17-15-7-8-19(2)18-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,17,18,23)/t14-/m0/s1.
What are the key properties of 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 124756367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).