N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C18H26N2O2 — CID 110689940

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)14-7-5-8-15(13(3)4)18(14)19-16(21)11-20-10-6-9-17(20)22/h5,7-8,12-13H,6,9-11H2,1-4H3,(H,19,21)
InChIKeyVQTCTXZCAZYBDX-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.49
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 110689940) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID110689940
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)14-7-5-8-15(13(3)4)18(14)19-16(21)11-20-10-6-9-17(20)22/h5,7-8,12-13H,6,9-11H2,1-4H3,(H,19,21)
InChIKeyVQTCTXZCAZYBDX-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107681255
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272767
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 110689940) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VQTCTXZCAZYBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)14-7-5-8-15(13(3)4)18(14)19-16(21)11-20-10-6-9-17(20)22/h5,7-8,12-13H,6,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.49, 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-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 110689940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).