4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide

C16H24N2O2 — CID 43707196

IUPAC4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)15-8-14(19)9-17-15/h4-7,10-11,14-15,17,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyCLARUPUMSWGCBT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds4

About 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 43707196) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID43707196
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C16H24N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)15-8-14(19)9-17-15/h4-7,10-11,14-15,17,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyCLARUPUMSWGCBT-UHFFFAOYSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 43707196) is 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(C(C)NC(=O)C2CC(O)CN2)cc1.
What is the InChIKey of 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CLARUPUMSWGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)15-8-14(19)9-17-15/h4-7,10-11,14-15,17,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43707196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).