N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide

C23H30N2O2 — CID 73152592

IUPACN-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-21(25-22(26)20-14-9-15-24-20)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,24,27H,9,14-16H2,1-2H3,(H,25,26)
InChIKeyPWBULUUPVDXEQS-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.21
Rot. Bonds7

About N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide

N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 73152592) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide
PubChem CID73152592
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-21(25-22(26)20-14-9-15-24-20)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,24,27H,9,14-16H2,1-2H3,(H,25,26)
InChIKeyPWBULUUPVDXEQS-UHFFFAOYSA-N
XLogP3.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide (CID 73152592) is N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide is CC(C)CC(NC(=O)C1CCCN1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PWBULUUPVDXEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)16-21(25-22(26)20-14-9-15-24-20)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,24,27H,9,14-16H2,1-2H3,(H,25,26).
What are the key properties of N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide?
N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 73152592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).