N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H28N2O2 — CID 8778699

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)19-7-5-8-20(16(3)4)22(19)24-23(27)17-10-12-18(13-11-17)25-14-6-9-21(25)26/h5,7-8,10-13,15-16H,6,9,14H2,1-4H3,(H,24,27)
InChIKeyDSCMFWZSKIYMHR-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.31
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 8778699) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID8778699
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)19-7-5-8-20(16(3)4)22(19)24-23(27)17-10-12-18(13-11-17)25-14-6-9-21(25)26/h5,7-8,10-13,15-16H,6,9,14H2,1-4H3,(H,24,27)
InChIKeyDSCMFWZSKIYMHR-UHFFFAOYSA-N
XLogP5.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 8778699) is N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DSCMFWZSKIYMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)19-7-5-8-20(16(3)4)22(19)24-23(27)17-10-12-18(13-11-17)25-14-6-9-21(25)26/h5,7-8,10-13,15-16H,6,9,14H2,1-4H3,(H,24,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 5.31, 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]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 8778699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).