propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate

C20H40N2O4 — CID 175983071

IUPACpropyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate
SMILESCCCCCCC(CCC(=O)OCCC)OC(=O)NCCN(CC)CC
InChIInChI=1S/C20H40N2O4/c1-5-9-10-11-12-18(13-14-19(23)25-17-6-2)26-20(24)21-15-16-22(7-3)8-4/h18H,5-17H2,1-4H3,(H,21,24)
InChIKeyAPYSKGPQZPHMNF-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.13
Rot. Bonds16

About propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate

propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate (PubChem CID 175983071) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate.

Molecular Properties

Compound Namepropyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate
PubChem CID175983071
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Namepropyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate
SMILESCCCCCCC(CCC(=O)OCCC)OC(=O)NCCN(CC)CC
InChIInChI=1S/C20H40N2O4/c1-5-9-10-11-12-18(13-14-19(23)25-17-6-2)26-20(24)21-15-16-22(7-3)8-4/h18H,5-17H2,1-4H3,(H,21,24)
InChIKeyAPYSKGPQZPHMNF-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-[2-[2-(diethylamino)ethylcarbamoyloxymethyl]-3-(5-heptadecan-9-yloxy-5-oxopentanoyl)oxy-2-methylpropyl] 5-O-heptadecan-9-yl pentanedioate
CID 172607781
3-(undecan-4-yloxycarbonylamino)propyl 3-[methyl-[3-[methyl-[3-oxo-3-[3-(undecan-4-yloxycarbonylamino)propoxy]propyl]amino]propyl]amino]propanoate
CID 177084840
butyl (4S)-4-(2-pyrrolidin-1-ylethylcarbamoyloxy)decanoate
CID 164737796
(4S)-4-[2-[ethyl(methyl)amino]ethylcarbamoyloxy]dodecanoic acid
CID 146628583
propyl 12-[3-(aziridin-1-yl)butylcarbamoyloxy]octadecanoate
CID 143529881
1-O-[2-[2-(diethylamino)ethylcarbamoyloxymethyl]-3-[(Z)-7-oxo-7-tridecan-7-yloxyhept-2-en-3-yl]oxypropyl] 5-O-tridecan-7-yl pentanedioate
CID 172607768
1-O-[2-[3-(diethylamino)propylcarbamoyloxymethyl]-3-(8-heptadecan-9-yloxy-8-oxooctanoyl)oxypropyl] 8-O-heptadecan-9-yl octanedioate;molecular hydrogen
CID 162764412
1-O-decyl 9-O-[2-[2-(diethylamino)ethylcarbamoyloxymethyl]-3-(4,4-dioctoxybutanoyloxy)propyl] nonanedioate
CID 155246021
undecyl 3-[3-(diethylamino)propoxycarbonyl-(3-heptadecan-9-yloxy-3-oxopropyl)amino]propanoate
CID 176809018
4-[3-(diethylamino)propoxycarbonyloxy]-11-octanoyloxyundecanoic acid
CID 118168754
ethane;ethanol;undecyl 8-[ethyl-(8-hexadecan-8-yloxy-8-oxooctyl)amino]octanoate
CID 155720658
[2-[2-(dimethylamino)ethylcarbamoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate
CID 19361179

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate?
The IUPAC name of propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate (CID 175983071) is propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate.
What is the SMILES notation for propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate?
The canonical SMILES for propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate is CCCCCCC(CCC(=O)OCCC)OC(=O)NCCN(CC)CC.
What is the InChIKey of propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate?
The InChIKey is APYSKGPQZPHMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-5-9-10-11-12-18(13-14-19(23)25-17-6-2)26-20(24)21-15-16-22(7-3)8-4/h18H,5-17H2,1-4H3,(H,21,24).
What are the key properties of propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate?
propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate has a molecular weight of 372.55 g/mol, XLogP of 4.13, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(diethylamino)ethylcarbamoyloxy]decanoate is sourced from PubChem (CID 175983071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).