[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium

C19H40N3O2+ — CID 23556532

IUPAC[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCC(=O)NCCNC(=O)C[N+](C)(C)C
InChIInChI=1S/C19H39N3O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)20-15-16-21-19(24)17-22(2,3)4/h5-17H2,1-4H3,(H-,20,21,23,24)/p+1
InChIKeySMEYCJKBCKUYDL-UHFFFAOYSA-O
MW342.55 g/mol
LogP2.85
Rot. Bonds15

About [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium

[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium (PubChem CID 23556532) has the molecular formula C19H40N3O2+ and a molecular weight of 342.55 g/mol. Its IUPAC name is [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
PubChem CID23556532
Molecular FormulaC19H40N3O2+
Molecular Weight342.55 g/mol
Exact Mass342.31
IUPAC Name[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCC(=O)NCCNC(=O)C[N+](C)(C)C
InChIInChI=1S/C19H39N3O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)20-15-16-21-19(24)17-22(2,3)4/h5-17H2,1-4H3,(H-,20,21,23,24)/p+1
InChIKeySMEYCJKBCKUYDL-UHFFFAOYSA-O
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
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-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium (CID 23556532) is [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium is CCCCCCCCCCCC(=O)NCCNC(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium?
The InChIKey is SMEYCJKBCKUYDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H39N3O2/c1-5-6-7-8-9-10-11-12-13-14-18(23)20-15-16-21-19(24)17-22(2,3)4/h5-17H2,1-4H3,(H-,20,21,23,24)/p+1.
What are the key properties of [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium?
[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium has a molecular weight of 342.55 g/mol, XLogP of 2.85, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 23556532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).