methyl 3-[decanoyl(methyl)amino]propanoate

C15H29NO3 — CID 54979768

IUPACmethyl 3-[decanoyl(methyl)amino]propanoate
SMILESCCCCCCCCCC(=O)N(C)CCC(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-14(17)16(2)13-12-15(18)19-3/h4-13H2,1-3H3
InChIKeyBEZIEHQILAWUEZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.15
Rot. Bonds11

About methyl 3-[decanoyl(methyl)amino]propanoate

methyl 3-[decanoyl(methyl)amino]propanoate (PubChem CID 54979768) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-[decanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[decanoyl(methyl)amino]propanoate
PubChem CID54979768
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 3-[decanoyl(methyl)amino]propanoate
SMILESCCCCCCCCCC(=O)N(C)CCC(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-14(17)16(2)13-12-15(18)19-3/h4-13H2,1-3H3
InChIKeyBEZIEHQILAWUEZ-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
methyl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;propane;undecane
CID 145328586
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl octadecanoate;methyl octanoate
CID 157178883
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388

Frequently Asked Questions

What is the IUPAC name of methyl 3-[decanoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[decanoyl(methyl)amino]propanoate (CID 54979768) is methyl 3-[decanoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[decanoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[decanoyl(methyl)amino]propanoate is CCCCCCCCCC(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[decanoyl(methyl)amino]propanoate?
The InChIKey is BEZIEHQILAWUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-14(17)16(2)13-12-15(18)19-3/h4-13H2,1-3H3.
What are the key properties of methyl 3-[decanoyl(methyl)amino]propanoate?
methyl 3-[decanoyl(methyl)amino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[decanoyl(methyl)amino]propanoate is sourced from PubChem (CID 54979768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).