N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

C17H26N2O — CID 119707437

IUPACN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)12-19-16(20)11-15-5-4-10-18-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyYUYBKSXPRQDJJF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119707437) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119707437
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)12-19-16(20)11-15-5-4-10-18-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyYUYBKSXPRQDJJF-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119716948
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
N-[2-methyl-2-(4-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119775261
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119716947
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119707437) is N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is CC(C)(C)c1ccc(CNC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is YUYBKSXPRQDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-8-6-13(7-9-14)12-19-16(20)11-15-5-4-10-18-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119707437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).