methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate

C14H27NO4 — CID 78959098

IUPACmethyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
SMILESCCCCCCC(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C14H27NO4/c1-4-5-6-7-8-13(16)15(11-12-18-2)10-9-14(17)19-3/h4-12H2,1-3H3
InChIKeyCKDINTJSLUGGNO-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.99
Rot. Bonds11

About methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate

methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate (PubChem CID 78959098) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
PubChem CID78959098
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namemethyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
SMILESCCCCCCC(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C14H27NO4/c1-4-5-6-7-8-13(16)15(11-12-18-2)10-9-14(17)19-3/h4-12H2,1-3H3
InChIKeyCKDINTJSLUGGNO-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate 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

methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566
N,N-di(nonyl)octanamide
CID 533141
N,N-dipropylnonadecanamide
CID 12960009
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate (CID 78959098) is methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate is CCCCCCC(=O)N(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate?
The InChIKey is CKDINTJSLUGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-5-6-7-8-13(16)15(11-12-18-2)10-9-14(17)19-3/h4-12H2,1-3H3.
What are the key properties of methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate?
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).