N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide

C24H31N3O4 — CID 91213723

IUPACN-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
SMILESCCC(C(N)=O)N1CC(CNC(=O)CCC(=O)Cc2ccccccccc2)CC1=O
InChIInChI=1S/C24H31N3O4/c1-2-21(24(25)31)27-17-19(15-23(27)30)16-26-22(29)13-12-20(28)14-18-10-8-6-4-3-5-7-9-11-18/h3-11,19,21H,2,12-17H2,1H3,(H2,25,31)(H,26,29)/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,18-10+,18-11+
InChIKeyDKZDQGAJFCMJCP-SCUUEXMQSA-N
MW425.53 g/mol
LogP1.93
Rot. Bonds10

About N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide

N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide (PubChem CID 91213723) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
PubChem CID91213723
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
SMILESCCC(C(N)=O)N1CC(CNC(=O)CCC(=O)Cc2ccccccccc2)CC1=O
InChIInChI=1S/C24H31N3O4/c1-2-21(24(25)31)27-17-19(15-23(27)30)16-26-22(29)13-12-20(28)14-18-10-8-6-4-3-5-7-9-11-18/h3-11,19,21H,2,12-17H2,1H3,(H2,25,31)(H,26,29)/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,18-10+,18-11+
InChIKeyDKZDQGAJFCMJCP-SCUUEXMQSA-N
XLogP1.93
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-(cyclooctadecylmethyl)butanediamide
CID 166955858
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
(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
N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
CID 163470900
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737248
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
(2R)-2-[(4R)-4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 135828034
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide?
The IUPAC name of N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide (CID 91213723) is N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide.
What is the SMILES notation for N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide?
The canonical SMILES for N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide is CCC(C(N)=O)N1CC(CNC(=O)CCC(=O)Cc2ccccccccc2)CC1=O.
What is the InChIKey of N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide?
The InChIKey is DKZDQGAJFCMJCP-SCUUEXMQSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-2-21(24(25)31)27-17-19(15-23(27)30)16-26-22(29)13-12-20(28)14-18-10-8-6-4-3-5-7-9-11-18/h3-11,19,21H,2,12-17H2,1H3,(H2,25,31)(H,26,29)/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,18-10+,18-11+.
What are the key properties of N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide?
N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide has a molecular weight of 425.53 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide is sourced from PubChem (CID 91213723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).