11-(dodecanoylamino)undecanoic acid

C23H45NO3 — CID 4163254

IUPAC11-(dodecanoylamino)undecanoic acid
SMILESCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H45NO3/c1-2-3-4-5-6-7-10-13-16-19-22(25)24-21-18-15-12-9-8-11-14-17-20-23(26)27/h2-21H2,1H3,(H,24,25)(H,26,27)
InChIKeyGCMDENVFJBBGCQ-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.62
Rot. Bonds21

About 11-(dodecanoylamino)undecanoic acid

11-(dodecanoylamino)undecanoic acid (PubChem CID 4163254) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 11-(dodecanoylamino)undecanoic acid.

Molecular Properties

Compound Name11-(dodecanoylamino)undecanoic acid
PubChem CID4163254
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Name11-(dodecanoylamino)undecanoic acid
SMILESCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H45NO3/c1-2-3-4-5-6-7-10-13-16-19-22(25)24-21-18-15-12-9-8-11-14-17-20-23(26)27/h2-21H2,1H3,(H,24,25)(H,26,27)
InChIKeyGCMDENVFJBBGCQ-UHFFFAOYSA-N
XLogP6.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.62
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

6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 11-(dodecanoylamino)undecanoic acid?
The IUPAC name of 11-(dodecanoylamino)undecanoic acid (CID 4163254) is 11-(dodecanoylamino)undecanoic acid.
What is the SMILES notation for 11-(dodecanoylamino)undecanoic acid?
The canonical SMILES for 11-(dodecanoylamino)undecanoic acid is CCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(dodecanoylamino)undecanoic acid?
The InChIKey is GCMDENVFJBBGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO3/c1-2-3-4-5-6-7-10-13-16-19-22(25)24-21-18-15-12-9-8-11-14-17-20-23(26)27/h2-21H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 11-(dodecanoylamino)undecanoic acid?
11-(dodecanoylamino)undecanoic acid has a molecular weight of 383.62 g/mol, XLogP of 6.62, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dodecanoylamino)undecanoic acid is sourced from PubChem (CID 4163254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).