[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate

C24H43NO7 — CID 88825856

IUPAC[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate
SMILESCCCCCCCCCCCC(=O)N(C)CC(OC(=O)CC)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C24H43NO7/c1-6-10-11-12-13-14-15-16-17-18-20(26)25(5)19-24(30-21(27)7-2,31-22(28)8-3)32-23(29)9-4/h6-19H2,1-5H3
InChIKeyVWLCYBKOOLWVHV-UHFFFAOYSA-N
MW457.61 g/mol
LogP4.88
Rot. Bonds18

About [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate

[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate (PubChem CID 88825856) has the molecular formula C24H43NO7 and a molecular weight of 457.61 g/mol. Its IUPAC name is [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate.

Molecular Properties

Compound Name[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate
PubChem CID88825856
Molecular FormulaC24H43NO7
Molecular Weight457.61 g/mol
Exact Mass457.30
IUPAC Name[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate
SMILESCCCCCCCCCCCC(=O)N(C)CC(OC(=O)CC)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C24H43NO7/c1-6-10-11-12-13-14-15-16-17-18-20(26)25(5)19-24(30-21(27)7-2,31-22(28)8-3)32-23(29)9-4/h6-19H2,1-5H3
InChIKeyVWLCYBKOOLWVHV-UHFFFAOYSA-N
XLogP4.88
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
1,1-di(docosanoyloxy)propyl docosanoate
CID 140737252
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591

Frequently Asked Questions

What is the IUPAC name of [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate?
The IUPAC name of [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate (CID 88825856) is [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate.
What is the SMILES notation for [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate?
The canonical SMILES for [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate is CCCCCCCCCCCC(=O)N(C)CC(OC(=O)CC)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate?
The InChIKey is VWLCYBKOOLWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO7/c1-6-10-11-12-13-14-15-16-17-18-20(26)25(5)19-24(30-21(27)7-2,31-22(28)8-3)32-23(29)9-4/h6-19H2,1-5H3.
What are the key properties of [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate?
[2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate has a molecular weight of 457.61 g/mol, XLogP of 4.88, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dodecanoyl(methyl)amino]-1,1-di(propanoyloxy)ethyl] propanoate is sourced from PubChem (CID 88825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).