N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide

C32H58N4O4 — CID 166955858

IUPACN'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide
SMILESCCC(C(N)=O)N1CC(CNC(=O)CCC(=O)NCC2CCCCCCCCCCCCCCCCC2)CC1=O
InChIInChI=1S/C32H58N4O4/c1-2-28(32(33)40)36-25-27(22-31(36)39)24-35-30(38)21-20-29(37)34-23-26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26/h26-28H,2-25H2,1H3,(H2,33,40)(H,34,37)(H,35,38)
InChIKeyAKOWYPTZHHNOFC-UHFFFAOYSA-N
MW562.84 g/mol
LogP5.37
Rot. Bonds10

About N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide

N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide (PubChem CID 166955858) has the molecular formula C32H58N4O4 and a molecular weight of 562.84 g/mol. Its IUPAC name is N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide
PubChem CID166955858
Molecular FormulaC32H58N4O4
Molecular Weight562.84 g/mol
Exact Mass562.45
IUPAC NameN'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide
SMILESCCC(C(N)=O)N1CC(CNC(=O)CCC(=O)NCC2CCCCCCCCCCCCCCCCC2)CC1=O
InChIInChI=1S/C32H58N4O4/c1-2-28(32(33)40)36-25-27(22-31(36)39)24-35-30(38)21-20-29(37)34-23-26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26/h26-28H,2-25H2,1H3,(H2,33,40)(H,34,37)(H,35,38)
InChIKeyAKOWYPTZHHNOFC-UHFFFAOYSA-N
XLogP5.37
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.84
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-methylbutanediamide;cyclooctadecane
CID 167542037
(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400524
N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
CID 91213723
N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
CID 163470900
(2S)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide;4-[[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoic acid;oxolane-2,5-dione
CID 161128383
S-[2-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-2-oxoethyl] N-cycloundecylcarbamothioate;2-bromo-N-cycloundecylacetamide;(2R)-2-[2-oxo-4-[[(2-sulfanylacetyl)amino]methyl]pyrrolidin-1-yl]butanamide
CID 157494009
(2,5-dioxopyrrolidin-1-yl) 4-[[1-[(2R)-1-(methylamino)-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
CID 163992050
cyclooctadecane;N-methyl-2-[2-oxo-2-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methylamino]ethyl]sulfanylacetamide
CID 163628325
(2R)-2-[4-[2-[[2-[2-(cyclononadecylamino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400507
(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 166174604
[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl thiocyanate
CID 141264581

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide?
The IUPAC name of N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide (CID 166955858) is N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide.
What is the SMILES notation for N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide?
The canonical SMILES for N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide is CCC(C(N)=O)N1CC(CNC(=O)CCC(=O)NCC2CCCCCCCCCCCCCCCCC2)CC1=O.
What is the InChIKey of N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide?
The InChIKey is AKOWYPTZHHNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N4O4/c1-2-28(32(33)40)36-25-27(22-31(36)39)24-35-30(38)21-20-29(37)34-23-26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-26/h26-28H,2-25H2,1H3,(H2,33,40)(H,34,37)(H,35,38).
What are the key properties of N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide?
N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide has a molecular weight of 562.84 g/mol, XLogP of 5.37, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide is sourced from PubChem (CID 166955858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).