dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate

C32H63NO4 — CID 175544522

IUPACdodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate
SMILESCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC)CCCCCC(=O)N(C)OC
InChIInChI=1S/C32H63NO4/c1-5-7-9-11-13-15-16-18-20-25-29-37-32(35)30(26-22-19-17-14-12-10-8-6-2)27-23-21-24-28-31(34)33(3)36-4/h30H,5-29H2,1-4H3
InChIKeyHTLMXARVHGMVMP-UHFFFAOYSA-N
MW525.86 g/mol
LogP9.57
Rot. Bonds28

About dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate

dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate (PubChem CID 175544522) has the molecular formula C32H63NO4 and a molecular weight of 525.86 g/mol. Its IUPAC name is dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate.

Molecular Properties

Compound Namedodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate
PubChem CID175544522
Molecular FormulaC32H63NO4
Molecular Weight525.86 g/mol
Exact Mass525.48
IUPAC Namedodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate
SMILESCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC)CCCCCC(=O)N(C)OC
InChIInChI=1S/C32H63NO4/c1-5-7-9-11-13-15-16-18-20-25-29-37-32(35)30(26-22-19-17-14-12-10-8-6-2)27-23-21-24-28-31(34)33(3)36-4/h30H,5-29H2,1-4H3
InChIKeyHTLMXARVHGMVMP-UHFFFAOYSA-N
XLogP9.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.86
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
11-octoxycarbonylheptadecanoic acid
CID 22496673
germane;pentyl 2-pentylheptanoate
CID 173457558
tetradecyl 2-butylhexanoate
CID 91318887
butyl 2-butyldocosanoate
CID 175080024

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate?
The IUPAC name of dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate (CID 175544522) is dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate.
What is the SMILES notation for dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate?
The canonical SMILES for dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate is CCCCCCCCCCCCOC(=O)C(CCCCCCCCCC)CCCCCC(=O)N(C)OC.
What is the InChIKey of dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate?
The InChIKey is HTLMXARVHGMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO4/c1-5-7-9-11-13-15-16-18-20-25-29-37-32(35)30(26-22-19-17-14-12-10-8-6-2)27-23-21-24-28-31(34)33(3)36-4/h30H,5-29H2,1-4H3.
What are the key properties of dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate?
dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate has a molecular weight of 525.86 g/mol, XLogP of 9.57, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate is sourced from PubChem (CID 175544522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).