5-(ethylamino)-4,22-dioxodocosanoic acid

C24H45NO4 — CID 175446562

IUPAC5-(ethylamino)-4,22-dioxodocosanoic acid
SMILESCCNC(CCCCCCCCCCCCCCCCC=O)C(=O)CCC(=O)O
InChIInChI=1S/C24H45NO4/c1-2-25-22(23(27)19-20-24(28)29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-26/h21-22,25H,2-20H2,1H3,(H,28,29)
InChIKeyNZDNVIGSILGOQN-UHFFFAOYSA-N
MW411.63 g/mol
LogP5.84
Rot. Bonds23

About 5-(ethylamino)-4,22-dioxodocosanoic acid

5-(ethylamino)-4,22-dioxodocosanoic acid (PubChem CID 175446562) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is 5-(ethylamino)-4,22-dioxodocosanoic acid.

Molecular Properties

Compound Name5-(ethylamino)-4,22-dioxodocosanoic acid
PubChem CID175446562
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC Name5-(ethylamino)-4,22-dioxodocosanoic acid
SMILESCCNC(CCCCCCCCCCCCCCCCC=O)C(=O)CCC(=O)O
InChIInChI=1S/C24H45NO4/c1-2-25-22(23(27)19-20-24(28)29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-26/h21-22,25H,2-20H2,1H3,(H,28,29)
InChIKeyNZDNVIGSILGOQN-UHFFFAOYSA-N
XLogP5.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)hexanedioic acid
CID 88869975
(2S)-5-(diaminomethylideneamino)-2-(ethylamino)pentanoic acid;tetradecanal
CID 175413183
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861
4-(ethylamino)-5-oxohexanal
CID 155034018
disodium;hydride;16-methylheptadecanal;propanoic acid
CID 174913733
12,12-dimethoxydodecanoic acid;methyl 12-oxododecanoate
CID 157181601
2-(18-oxooctadecanoylamino)pentanoic acid
CID 123209154
2-(dodecan-6-ylamino)-6-oxohexanoic acid
CID 139934879
6,19-dioxononadecanoic acid
CID 174486192
2-methyl-6-oxohexanoic acid
CID 19986900
6-(octan-2-ylamino)-5-oxohexanal
CID 142832135
carbonic acid;dodecanal
CID 87947916

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-4,22-dioxodocosanoic acid?
The IUPAC name of 5-(ethylamino)-4,22-dioxodocosanoic acid (CID 175446562) is 5-(ethylamino)-4,22-dioxodocosanoic acid.
What is the SMILES notation for 5-(ethylamino)-4,22-dioxodocosanoic acid?
The canonical SMILES for 5-(ethylamino)-4,22-dioxodocosanoic acid is CCNC(CCCCCCCCCCCCCCCCC=O)C(=O)CCC(=O)O.
What is the InChIKey of 5-(ethylamino)-4,22-dioxodocosanoic acid?
The InChIKey is NZDNVIGSILGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO4/c1-2-25-22(23(27)19-20-24(28)29)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-26/h21-22,25H,2-20H2,1H3,(H,28,29).
What are the key properties of 5-(ethylamino)-4,22-dioxodocosanoic acid?
5-(ethylamino)-4,22-dioxodocosanoic acid has a molecular weight of 411.63 g/mol, XLogP of 5.84, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-4,22-dioxodocosanoic acid is sourced from PubChem (CID 175446562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).