20-(ethylamino)-20-oxoicosanoic acid

C22H43NO3 — CID 59533791

IUPAC20-(ethylamino)-20-oxoicosanoic acid
SMILESCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H43NO3/c1-2-23-21(24)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)
InChIKeyHVNULAFPJCWAIA-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.23
Rot. Bonds20

About 20-(ethylamino)-20-oxoicosanoic acid

20-(ethylamino)-20-oxoicosanoic acid (PubChem CID 59533791) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 20-(ethylamino)-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-(ethylamino)-20-oxoicosanoic acid
PubChem CID59533791
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name20-(ethylamino)-20-oxoicosanoic acid
SMILESCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H43NO3/c1-2-23-21(24)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)
InChIKeyHVNULAFPJCWAIA-UHFFFAOYSA-N
XLogP6.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylnonanediamide
CID 89048639
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-ethylethanamine;nonanedioic acid
CID 14150788

Frequently Asked Questions

What is the IUPAC name of 20-(ethylamino)-20-oxoicosanoic acid?
The IUPAC name of 20-(ethylamino)-20-oxoicosanoic acid (CID 59533791) is 20-(ethylamino)-20-oxoicosanoic acid.
What is the SMILES notation for 20-(ethylamino)-20-oxoicosanoic acid?
The canonical SMILES for 20-(ethylamino)-20-oxoicosanoic acid is CCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 20-(ethylamino)-20-oxoicosanoic acid?
The InChIKey is HVNULAFPJCWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-2-23-21(24)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 20-(ethylamino)-20-oxoicosanoic acid?
20-(ethylamino)-20-oxoicosanoic acid has a molecular weight of 369.59 g/mol, XLogP of 6.23, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(ethylamino)-20-oxoicosanoic acid is sourced from PubChem (CID 59533791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).