methyl 10-(octadecanoylamino)decanoate

C29H57NO3 — CID 54073329

IUPACmethyl 10-(octadecanoylamino)decanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)OC
InChIInChI=1S/C29H57NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28(31)30-27-24-21-18-15-17-20-23-26-29(32)33-2/h3-27H2,1-2H3,(H,30,31)
InChIKeyMHZNEHPRMGKZNX-UHFFFAOYSA-N
MW467.78 g/mol
LogP8.66
Rot. Bonds26

About methyl 10-(octadecanoylamino)decanoate

methyl 10-(octadecanoylamino)decanoate (PubChem CID 54073329) has the molecular formula C29H57NO3 and a molecular weight of 467.78 g/mol. Its IUPAC name is methyl 10-(octadecanoylamino)decanoate.

Molecular Properties

Compound Namemethyl 10-(octadecanoylamino)decanoate
PubChem CID54073329
Molecular FormulaC29H57NO3
Molecular Weight467.78 g/mol
Exact Mass467.43
IUPAC Namemethyl 10-(octadecanoylamino)decanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)OC
InChIInChI=1S/C29H57NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28(31)30-27-24-21-18-15-17-20-23-26-29(32)33-2/h3-27H2,1-2H3,(H,30,31)
InChIKeyMHZNEHPRMGKZNX-UHFFFAOYSA-N
XLogP8.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 58.66
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

methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 4-(tridecanoylamino)butanoate
CID 101398455
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
methyl 4-(octadec-9-enoylamino)butanoate
CID 154051875
N-pentylicosanamide
CID 139961886
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of methyl 10-(octadecanoylamino)decanoate?
The IUPAC name of methyl 10-(octadecanoylamino)decanoate (CID 54073329) is methyl 10-(octadecanoylamino)decanoate.
What is the SMILES notation for methyl 10-(octadecanoylamino)decanoate?
The canonical SMILES for methyl 10-(octadecanoylamino)decanoate is CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-(octadecanoylamino)decanoate?
The InChIKey is MHZNEHPRMGKZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28(31)30-27-24-21-18-15-17-20-23-26-29(32)33-2/h3-27H2,1-2H3,(H,30,31).
What are the key properties of methyl 10-(octadecanoylamino)decanoate?
methyl 10-(octadecanoylamino)decanoate has a molecular weight of 467.78 g/mol, XLogP of 8.66, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(octadecanoylamino)decanoate is sourced from PubChem (CID 54073329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).