N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide

C19H28N4O3 — CID 52663990

IUPACN-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-19(2,3)22-17(25)14-7-4-8-15(13-14)21-18(26)20-10-6-12-23-11-5-9-16(23)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,22,25)(H2,20,21,26)
InChIKeyFPULJYROGZGLMC-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.35
Rot. Bonds6

About N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide

N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide (PubChem CID 52663990) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
PubChem CID52663990
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-19(2,3)22-17(25)14-7-4-8-15(13-14)21-18(26)20-10-6-12-23-11-5-9-16(23)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,22,25)(H2,20,21,26)
InChIKeyFPULJYROGZGLMC-UHFFFAOYSA-N
XLogP2.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
N-tert-butyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoylamino]benzamide
CID 55819289
3-(2-benzamidoethylcarbamoylamino)-N-tert-butylbenzamide
CID 55820315
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
1-(2,6-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide (CID 52663990) is N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide?
The InChIKey is FPULJYROGZGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-19(2,3)22-17(25)14-7-4-8-15(13-14)21-18(26)20-10-6-12-23-11-5-9-16(23)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,22,25)(H2,20,21,26).
What are the key properties of N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide?
N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide has a molecular weight of 360.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide is sourced from PubChem (CID 52663990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).