N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C21H39N3O2 — CID 20968292

IUPACN-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(CCCNC(=O)C1CC(=O)N(C2CCCC2)C1)CC(C)C
InChIInChI=1S/C21H39N3O2/c1-16(2)13-23(14-17(3)4)11-7-10-22-21(26)18-12-20(25)24(15-18)19-8-5-6-9-19/h16-19H,5-15H2,1-4H3,(H,22,26)
InChIKeyYKEYXCGFPZZLSU-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.90
Rot. Bonds10

About N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 20968292) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID20968292
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC NameN-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(CCCNC(=O)C1CC(=O)N(C2CCCC2)C1)CC(C)C
InChIInChI=1S/C21H39N3O2/c1-16(2)13-23(14-17(3)4)11-7-10-22-21(26)18-12-20(25)24(15-18)19-8-5-6-9-19/h16-19H,5-15H2,1-4H3,(H,22,26)
InChIKeyYKEYXCGFPZZLSU-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclopentyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3236833
N-(3-azepan-1-ylpropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3240722
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3245780
1-cyclopentyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3238541
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
1-cyclopentyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 3236873
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(1-methylpropyl)-5-oxo-
CID 3401597

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 20968292) is N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CC(C)CN(CCCNC(=O)C1CC(=O)N(C2CCCC2)C1)CC(C)C.
What is the InChIKey of N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YKEYXCGFPZZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-16(2)13-23(14-17(3)4)11-7-10-22-21(26)18-12-20(25)24(15-18)19-8-5-6-9-19/h16-19H,5-15H2,1-4H3,(H,22,26).
What are the key properties of N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.56 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 20968292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).