[2-[decyl(methyl)amino]-2-oxoethyl] acetate

C15H29NO3 — CID 532998

IUPAC[2-[decyl(methyl)amino]-2-oxoethyl] acetate
SMILESCCCCCCCCCCN(C)C(=O)COC(C)=O
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12-16(3)15(18)13-19-14(2)17/h4-13H2,1-3H3
InChIKeySNYDHKLVMRLVQV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.15
Rot. Bonds11

About [2-[decyl(methyl)amino]-2-oxoethyl] acetate

[2-[decyl(methyl)amino]-2-oxoethyl] acetate (PubChem CID 532998) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is [2-[decyl(methyl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[decyl(methyl)amino]-2-oxoethyl] acetate
PubChem CID532998
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name[2-[decyl(methyl)amino]-2-oxoethyl] acetate
SMILESCCCCCCCCCCN(C)C(=O)COC(C)=O
InChIInChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12-16(3)15(18)13-19-14(2)17/h4-13H2,1-3H3
InChIKeySNYDHKLVMRLVQV-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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Frequently Asked Questions

What is the IUPAC name of [2-[decyl(methyl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[decyl(methyl)amino]-2-oxoethyl] acetate (CID 532998) is [2-[decyl(methyl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[decyl(methyl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[decyl(methyl)amino]-2-oxoethyl] acetate is CCCCCCCCCCN(C)C(=O)COC(C)=O.
What is the InChIKey of [2-[decyl(methyl)amino]-2-oxoethyl] acetate?
The InChIKey is SNYDHKLVMRLVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12-16(3)15(18)13-19-14(2)17/h4-13H2,1-3H3.
What are the key properties of [2-[decyl(methyl)amino]-2-oxoethyl] acetate?
[2-[decyl(methyl)amino]-2-oxoethyl] acetate 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 [2-[decyl(methyl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 532998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).