(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide

C25H45NO4 — CID 158588824

IUPAC(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide
SMILESCC(=O)C[C@H](C)C(=O)CCCCCCCCCCCCCNC(=O)[C@@H](C)CC(C)=O
InChIInChI=1S/C25H45NO4/c1-20(18-22(3)27)24(29)16-14-12-10-8-6-5-7-9-11-13-15-17-26-25(30)21(2)19-23(4)28/h20-21H,5-19H2,1-4H3,(H,26,30)/t20-,21-/m0/s1
InChIKeyHUEGSWCBOPGMHA-SFTDATJTSA-N
MW423.64 g/mol
LogP5.58
Rot. Bonds20

About (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide

(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide (PubChem CID 158588824) has the molecular formula C25H45NO4 and a molecular weight of 423.64 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide
PubChem CID158588824
Molecular FormulaC25H45NO4
Molecular Weight423.64 g/mol
Exact Mass423.33
IUPAC Name(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide
SMILESCC(=O)C[C@H](C)C(=O)CCCCCCCCCCCCCNC(=O)[C@@H](C)CC(C)=O
InChIInChI=1S/C25H45NO4/c1-20(18-22(3)27)24(29)16-14-12-10-8-6-5-7-9-11-13-15-17-26-25(30)21(2)19-23(4)28/h20-21H,5-19H2,1-4H3,(H,26,30)/t20-,21-/m0/s1
InChIKeyHUEGSWCBOPGMHA-SFTDATJTSA-N
XLogP5.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide 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

3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
(2R,5S)-5-amino-N-[(15S)-15-[[(2S)-2-amino-4-oxopentanoyl]amino]-14,17-dioxooctadecyl]-4,7-dioxo-2-(2-oxopropyl)octanamide
CID 157433511
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
2-amino-N-(9-amino-8-oxodecyl)propanamide
CID 159969834
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345
4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446
9-methylundecane-2,8-dione
CID 178033213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide?
The IUPAC name of (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide (CID 158588824) is (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide?
The canonical SMILES for (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide is CC(=O)C[C@H](C)C(=O)CCCCCCCCCCCCCNC(=O)[C@@H](C)CC(C)=O.
What is the InChIKey of (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide?
The InChIKey is HUEGSWCBOPGMHA-SFTDATJTSA-N. The full InChI is InChI=1S/C25H45NO4/c1-20(18-22(3)27)24(29)16-14-12-10-8-6-5-7-9-11-13-15-17-26-25(30)21(2)19-23(4)28/h20-21H,5-19H2,1-4H3,(H,26,30)/t20-,21-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide?
(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide has a molecular weight of 423.64 g/mol, XLogP of 5.58, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide is sourced from PubChem (CID 158588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).