4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide

C19H30N2O7 — CID 158753512

IUPAC4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide
SMILESCCC(=O)CCCNC(=O)CCC(=O)CNC(=O)CCC(=O)COCC(C)=O
InChIInChI=1S/C19H30N2O7/c1-3-15(23)5-4-10-20-18(26)8-6-16(24)11-21-19(27)9-7-17(25)13-28-12-14(2)22/h3-13H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyQJJAYXRAHSJOEF-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.28
Rot. Bonds17

About 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide

4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide (PubChem CID 158753512) has the molecular formula C19H30N2O7 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide.

Molecular Properties

Compound Name4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide
PubChem CID158753512
Molecular FormulaC19H30N2O7
Molecular Weight398.46 g/mol
Exact Mass398.21
IUPAC Name4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide
SMILESCCC(=O)CCCNC(=O)CCC(=O)CNC(=O)CCC(=O)COCC(C)=O
InChIInChI=1S/C19H30N2O7/c1-3-15(23)5-4-10-20-18(26)8-6-16(24)11-21-19(27)9-7-17(25)13-28-12-14(2)22/h3-13H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyQJJAYXRAHSJOEF-UHFFFAOYSA-N
XLogP0.28
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide with MolForge

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Related Compounds

6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N-hexadecyl-4-oxohexanamide
CID 59141452
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
6-methoxy-5-oxo-N-[3-oxo-3-(4-oxopentylamino)propyl]hexanamide
CID 59567294
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide
CID 171804428
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide?
The IUPAC name of 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide (CID 158753512) is 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide.
What is the SMILES notation for 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide?
The canonical SMILES for 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide is CCC(=O)CCCNC(=O)CCC(=O)CNC(=O)CCC(=O)COCC(C)=O.
What is the InChIKey of 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide?
The InChIKey is QJJAYXRAHSJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O7/c1-3-15(23)5-4-10-20-18(26)8-6-16(24)11-21-19(27)9-7-17(25)13-28-12-14(2)22/h3-13H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide?
4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide has a molecular weight of 398.46 g/mol, XLogP of 0.28, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-oxohexyl)-5-[[4-oxo-5-(2-oxopropoxy)pentanoyl]amino]pentanamide is sourced from PubChem (CID 158753512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).