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

C15H22N2O — CID 61372360

IUPACN-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12-5-3-6-14(9-12)17-15(18)10-13-7-4-8-16-13/h3,5-6,9,11,13,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyNELCOKXRFZRDBL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61372360) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61372360
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12-5-3-6-14(9-12)17-15(18)10-13-7-4-8-16-13/h3,5-6,9,11,13,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyNELCOKXRFZRDBL-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
2-(3-methylpiperidin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 107147526
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide (CID 61372360) is N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide is CC(C)c1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is NELCOKXRFZRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-5-3-6-14(9-12)17-15(18)10-13-7-4-8-16-13/h3,5-6,9,11,13,16H,4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide?
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61372360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).