4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide

C23H35N3O3 — CID 112763209

IUPAC4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C23H35N3O3/c1-16(2)20(22(29)24-13-7-15-26-14-6-8-19(26)27)25-21(28)17-9-11-18(12-10-17)23(3,4)5/h9-12,16,20H,6-8,13-15H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyBQPKPNRSJXSDNU-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.87
Rot. Bonds8

About 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide

4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide (PubChem CID 112763209) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide
PubChem CID112763209
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C23H35N3O3/c1-16(2)20(22(29)24-13-7-15-26-14-6-8-19(26)27)25-21(28)17-9-11-18(12-10-17)23(3,4)5/h9-12,16,20H,6-8,13-15H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyBQPKPNRSJXSDNU-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[(2S)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 98001662
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-2-(phenylcarbamoylamino)butanamide
CID 55340431
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 119237337
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945
4-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119394253

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide (CID 112763209) is 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide?
The InChIKey is BQPKPNRSJXSDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-16(2)20(22(29)24-13-7-15-26-14-6-8-19(26)27)25-21(28)17-9-11-18(12-10-17)23(3,4)5/h9-12,16,20H,6-8,13-15H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide?
4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide has a molecular weight of 401.55 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide is sourced from PubChem (CID 112763209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).