1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C59H108N10O11 — CID 159469274

IUPAC1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(N)=O)CC1=O.CC(C)CCCCCCN1CC(C(N)=O)CC1=O.CC(C)CCN1CC(C(N)=O)CC1=O.CCC(CC)N1CC(C(N)=O)CC1=O.CCCCC(CC)COCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H30N2O3.C14H26N2O2.2C10H18N2O2.C9H16N2O2/c1-3-5-7-13(4-2)12-21-9-6-8-18-11-14(16(17)20)10-15(18)19;1-11(2)7-5-3-4-6-8-16-10-12(14(15)18)9-13(16)17;1-7(2)3-4-12-6-8(10(11)14)5-9(12)13;1-3-8(4-2)12-6-7(10(11)14)5-9(12)13;1-9(2,3)11-5-6(8(10)13)4-7(11)12/h13-14H,3-12H2,1-2H3,(H2,17,20);11-12H,3-10H2,1-2H3,(H2,15,18);2*7-8H,3-6H2,1-2H3,(H2,11,14);6H,4-5H2,1-3H3,(H2,10,13)
InChIKeyLVPAZPUULQCNED-UHFFFAOYSA-N
MW1133.57 g/mol
LogP4.86
Rot. Bonds28

About 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 159469274) has the molecular formula C59H108N10O11 and a molecular weight of 1133.57 g/mol. Its IUPAC name is 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID159469274
Molecular FormulaC59H108N10O11
Molecular Weight1133.57 g/mol
Exact Mass1132.82
IUPAC Name1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(N)=O)CC1=O.CC(C)CCCCCCN1CC(C(N)=O)CC1=O.CC(C)CCN1CC(C(N)=O)CC1=O.CCC(CC)N1CC(C(N)=O)CC1=O.CCCCC(CC)COCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H30N2O3.C14H26N2O2.2C10H18N2O2.C9H16N2O2/c1-3-5-7-13(4-2)12-21-9-6-8-18-11-14(16(17)20)10-15(18)19;1-11(2)7-5-3-4-6-8-16-10-12(14(15)18)9-13(16)17;1-7(2)3-4-12-6-8(10(11)14)5-9(12)13;1-3-8(4-2)12-6-7(10(11)14)5-9(12)13;1-9(2,3)11-5-6(8(10)13)4-7(11)12/h13-14H,3-12H2,1-2H3,(H2,17,20);11-12H,3-10H2,1-2H3,(H2,15,18);2*7-8H,3-6H2,1-2H3,(H2,11,14);6H,4-5H2,1-3H3,(H2,10,13)
InChIKeyLVPAZPUULQCNED-UHFFFAOYSA-N
XLogP4.86
TPSA326.23 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.57
LogP ≤ 54.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

butyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;butyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate;2-ethylhexyl 1-ethyl-5-oxopyrrolidine-3-carboxylate;methyl 5-oxo-1-pentylpyrrolidine-3-carboxylate;octyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 159579815
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
2-ethylhexyl 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 54759486
8-methylnonyl 4-[2-(2-ethylhexoxy)ethoxy]butanoate
CID 121469699
16-methylheptadecyl 4-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469986
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 66974040
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 159469274) is 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(N)=O)CC1=O.CC(C)CCCCCCN1CC(C(N)=O)CC1=O.CC(C)CCN1CC(C(N)=O)CC1=O.CCC(CC)N1CC(C(N)=O)CC1=O.CCCCC(CC)COCCCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LVPAZPUULQCNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3.C14H26N2O2.2C10H18N2O2.C9H16N2O2/c1-3-5-7-13(4-2)12-21-9-6-8-18-11-14(16(17)20)10-15(18)19;1-11(2)7-5-3-4-6-8-16-10-12(14(15)18)9-13(16)17;1-7(2)3-4-12-6-8(10(11)14)5-9(12)13;1-3-8(4-2)12-6-7(10(11)14)5-9(12)13;1-9(2,3)11-5-6(8(10)13)4-7(11)12/h13-14H,3-12H2,1-2H3,(H2,17,20);11-12H,3-10H2,1-2H3,(H2,15,18);2*7-8H,3-6H2,1-2H3,(H2,11,14);6H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 1133.57 g/mol, XLogP of 4.86, 28 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide;1-[3-(2-ethylhexoxy)propyl]-5-oxopyrrolidine-3-carboxamide;1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide;1-(7-methyloctyl)-5-oxopyrrolidine-3-carboxamide;5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 159469274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).