3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide

C17H23N3O3 — CID 110746066

IUPAC3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C17H23N3O3/c1-11(21)18-13-7-5-6-12(8-13)16(23)19-14-9-15(22)20(10-14)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)
InChIKeyLYGMENUOJNKMPH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.77
Rot. Bonds3

About 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide

3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide (PubChem CID 110746066) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
PubChem CID110746066
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C17H23N3O3/c1-11(21)18-13-7-5-6-12(8-13)16(23)19-14-9-15(22)20(10-14)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)
InChIKeyLYGMENUOJNKMPH-UHFFFAOYSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110746070
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)urea
CID 108876138
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108546244
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
CID 119945951
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876214
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide (CID 110746066) is 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide is CC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C(C)(C)C)C2)c1.
What is the InChIKey of 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is LYGMENUOJNKMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(21)18-13-7-5-6-12(8-13)16(23)19-14-9-15(22)20(10-14)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23).
What are the key properties of 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide?
3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110746066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).