N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide

C15H24N4O3 — CID 162387371

IUPACN-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)c1ncc[nH]1
InChIInChI=1S/C15H24N4O3/c1-2-3-4-5-6-7-13(21)19-11(10-12(16)20)14(22)15-17-8-9-18-15/h8-9,11H,2-7,10H2,1H3,(H2,16,20)(H,17,18)(H,19,21)/t11-/m1/s1
InChIKeyOSAMXTXJWBFHIL-LLVKDONJSA-N
MW308.38 g/mol
LogP1.31
Rot. Bonds11

About N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide

N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide (PubChem CID 162387371) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide
PubChem CID162387371
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)c1ncc[nH]1
InChIInChI=1S/C15H24N4O3/c1-2-3-4-5-6-7-13(21)19-11(10-12(16)20)14(22)15-17-8-9-18-15/h8-9,11H,2-7,10H2,1H3,(H2,16,20)(H,17,18)(H,19,21)/t11-/m1/s1
InChIKeyOSAMXTXJWBFHIL-LLVKDONJSA-N
XLogP1.31
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
4-[[4-amino-2-(dodecanoylamino)-4-oxobutanoyl]amino]butanoic acid
CID 174194142
methyl (2S)-2-[[(2R)-4-amino-2-(octanoylamino)-4-oxobutanoyl]-methylamino]propanoate
CID 162387318
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide?
The IUPAC name of N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide (CID 162387371) is N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide.
What is the SMILES notation for N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide?
The canonical SMILES for N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide is CCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)c1ncc[nH]1.
What is the InChIKey of N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide?
The InChIKey is OSAMXTXJWBFHIL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-3-4-5-6-7-13(21)19-11(10-12(16)20)14(22)15-17-8-9-18-15/h8-9,11H,2-7,10H2,1H3,(H2,16,20)(H,17,18)(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide?
N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide has a molecular weight of 308.38 g/mol, XLogP of 1.31, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide is sourced from PubChem (CID 162387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).