methyl 6-(nonanoylamino)hexanoate

C16H31NO3 — CID 43423430

IUPACmethyl 6-(nonanoylamino)hexanoate
SMILESCCCCCCCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-9-12-15(18)17-14-11-8-10-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18)
InChIKeyKQFMHTVDICAUFK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.59
Rot. Bonds13

About methyl 6-(nonanoylamino)hexanoate

methyl 6-(nonanoylamino)hexanoate (PubChem CID 43423430) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 6-(nonanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(nonanoylamino)hexanoate
PubChem CID43423430
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 6-(nonanoylamino)hexanoate
SMILESCCCCCCCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-9-12-15(18)17-14-11-8-10-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18)
InChIKeyKQFMHTVDICAUFK-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.59
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 10-(octadecanoylamino)decanoate
CID 54073329
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of methyl 6-(nonanoylamino)hexanoate?
The IUPAC name of methyl 6-(nonanoylamino)hexanoate (CID 43423430) is methyl 6-(nonanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(nonanoylamino)hexanoate?
The canonical SMILES for methyl 6-(nonanoylamino)hexanoate is CCCCCCCCC(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-(nonanoylamino)hexanoate?
The InChIKey is KQFMHTVDICAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-9-12-15(18)17-14-11-8-10-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-(nonanoylamino)hexanoate?
methyl 6-(nonanoylamino)hexanoate has a molecular weight of 285.43 g/mol, XLogP of 3.59, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(nonanoylamino)hexanoate is sourced from PubChem (CID 43423430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).