N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide

C18H28N2O — CID 2100134

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C18H28N2O/c1-13(2)15-8-7-9-16(14(3)4)18(15)19-17(21)12-20-10-5-6-11-20/h7-9,13-14H,5-6,10-12H2,1-4H3,(H,19,21)
InChIKeyDSJASXHSXKGXPD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.97
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 2100134) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID2100134
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C18H28N2O/c1-13(2)15-8-7-9-16(14(3)4)18(15)19-17(21)12-20-10-5-6-11-20/h7-9,13-14H,5-6,10-12H2,1-4H3,(H,19,21)
InChIKeyDSJASXHSXKGXPD-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide (CID 2100134) is N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is DSJASXHSXKGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15-8-7-9-16(14(3)4)18(15)19-17(21)12-20-10-5-6-11-20/h7-9,13-14H,5-6,10-12H2,1-4H3,(H,19,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2100134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).