2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

C15H22N2O — CID 69302616

IUPAC2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(C(C(N)=O)C2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)11-3-5-12(6-4-11)14(15(16)18)13-7-8-17-9-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H2,16,18)
InChIKeyRPTVECFDLOBQQN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.99
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 69302616) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID69302616
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(C(C(N)=O)C2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)11-3-5-12(6-4-11)14(15(16)18)13-7-8-17-9-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H2,16,18)
InChIKeyRPTVECFDLOBQQN-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
1-(4-aminophenyl)-2-pyrrolidin-3-ylpropan-1-one
CID 140980834
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
CID 91550438
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
2-methyl-3-phenyl-3-piperidin-4-ylpropanamide
CID 174485434
1-[4-[fluoro(pyrrolidin-3-yl)methyl]phenyl]ethanone
CID 115032643
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 142061545
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (CID 69302616) is 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is CC(C)c1ccc(C(C(N)=O)C2CCNC2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is RPTVECFDLOBQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)11-3-5-12(6-4-11)14(15(16)18)13-7-8-17-9-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 69302616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).