methyl 3-(tetradecanoylamino)propanoate

C18H35NO3 — CID 44548744

IUPACmethyl 3-(tetradecanoylamino)propanoate
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)OC
InChIInChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19-16-15-18(21)22-2/h3-16H2,1-2H3,(H,19,20)
InChIKeyRIHVKOIRUPGGDH-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.37
Rot. Bonds15

About methyl 3-(tetradecanoylamino)propanoate

methyl 3-(tetradecanoylamino)propanoate (PubChem CID 44548744) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is methyl 3-(tetradecanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(tetradecanoylamino)propanoate
PubChem CID44548744
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Namemethyl 3-(tetradecanoylamino)propanoate
SMILESCCCCCCCCCCCCCC(=O)NCCC(=O)OC
InChIInChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19-16-15-18(21)22-2/h3-16H2,1-2H3,(H,19,20)
InChIKeyRIHVKOIRUPGGDH-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dodecanamide, N-hexyl-
CID 3505480
Dodecanamide, N-butyl-
CID 94896
Hexadecanoylamino-acetic acid methyl ester
CID 10471679
Hexadecanoic Acid Propylamide
CID 10379895
N-propyltetradecanamide
CID 3580936
N-butyltetradecanamide
CID 9838721
Dodecanamide, N-octyl-
CID 112353
Octadecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)
CID 83300
N1,N12-bis(3-methoxypropyl)dodecanediamide
CID 9820843
N-butylhexadecanamide
CID 9972764
N-ethylpalmitamide
CID 18377756
Myristamide, N-hexyl-
CID 91717888

Frequently Asked Questions

What is the IUPAC name of methyl 3-(tetradecanoylamino)propanoate?
The IUPAC name of methyl 3-(tetradecanoylamino)propanoate (CID 44548744) is methyl 3-(tetradecanoylamino)propanoate.
What is the SMILES notation for methyl 3-(tetradecanoylamino)propanoate?
The canonical SMILES for methyl 3-(tetradecanoylamino)propanoate is CCCCCCCCCCCCCC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(tetradecanoylamino)propanoate?
The InChIKey is RIHVKOIRUPGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19-16-15-18(21)22-2/h3-16H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-(tetradecanoylamino)propanoate?
methyl 3-(tetradecanoylamino)propanoate has a molecular weight of 313.48 g/mol, XLogP of 4.37, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tetradecanoylamino)propanoate is sourced from PubChem (CID 44548744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).