6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide

C24H49N3O4 — CID 174328411

IUPAC6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
SMILESCCCCCC(=O)NC(CCCCN)C(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H24N2O3.C12H25NO/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17);2-11H2,1H3,(H2,13,14)
InChIKeyFVVWGTGAOQOUGB-UHFFFAOYSA-N
MW443.67 g/mol
LogP4.66
Rot. Bonds20

About 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide

6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide (PubChem CID 174328411) has the molecular formula C24H49N3O4 and a molecular weight of 443.67 g/mol. Its IUPAC name is 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide.

Molecular Properties

Compound Name6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
PubChem CID174328411
Molecular FormulaC24H49N3O4
Molecular Weight443.67 g/mol
Exact Mass443.37
IUPAC Name6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
SMILESCCCCCC(=O)NC(CCCCN)C(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H24N2O3.C12H25NO/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17);2-11H2,1H3,(H2,13,14)
InChIKeyFVVWGTGAOQOUGB-UHFFFAOYSA-N
XLogP4.66
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.67
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide 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

(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
bis(5-amino-2-(octadecanoylamino)-5-oxopentanoic acid);2,6-diaminohexanoic acid
CID 175572052
5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
CID 174862072
(2S)-6-amino-2-[[(E)-octadec-9-enoyl]amino]hexanoic acid
CID 87767836
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide?
The IUPAC name of 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide (CID 174328411) is 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide.
What is the SMILES notation for 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide?
The canonical SMILES for 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide is CCCCCC(=O)NC(CCCCN)C(=O)O.CCCCCCCCCCCC(N)=O.
What is the InChIKey of 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide?
The InChIKey is FVVWGTGAOQOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.C12H25NO/c1-2-3-4-8-11(15)14-10(12(16)17)7-5-6-9-13;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10H,2-9,13H2,1H3,(H,14,15)(H,16,17);2-11H2,1H3,(H2,13,14).
What are the key properties of 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide?
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide has a molecular weight of 443.67 g/mol, XLogP of 4.66, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide is sourced from PubChem (CID 174328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).