bis[4-(diethylamino)butyl] propanedioate

C19H38N2O4 — CID 156562858

IUPACbis[4-(diethylamino)butyl] propanedioate
SMILESCCN(CC)CCCCOC(=O)CC(=O)OCCCCN(CC)CC
InChIInChI=1S/C19H38N2O4/c1-5-20(6-2)13-9-11-15-24-18(22)17-19(23)25-16-12-10-14-21(7-3)8-4/h5-17H2,1-4H3
InChIKeyDUQBLMQOSBHCRG-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.71
Rot. Bonds16

About bis[4-(diethylamino)butyl] propanedioate

bis[4-(diethylamino)butyl] propanedioate (PubChem CID 156562858) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is bis[4-(diethylamino)butyl] propanedioate.

Molecular Properties

Compound Namebis[4-(diethylamino)butyl] propanedioate
PubChem CID156562858
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Namebis[4-(diethylamino)butyl] propanedioate
SMILESCCN(CC)CCCCOC(=O)CC(=O)OCCCCN(CC)CC
InChIInChI=1S/C19H38N2O4/c1-5-20(6-2)13-9-11-15-24-18(22)17-19(23)25-16-12-10-14-21(7-3)8-4/h5-17H2,1-4H3
InChIKeyDUQBLMQOSBHCRG-UHFFFAOYSA-N
XLogP2.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)butyl 3-oxobutanoate
CID 150051023
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
bis[3-(diethylamino)propyl] carbonate
CID 18944359
3-(diethylamino)propyl octadecanoate
CID 139896219
5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
4-butylnonyl 8-[2-(diethylamino)ethyl-(6-oxo-6-undecoxyhexyl)amino]octanoate
CID 176630385
dioctyl propanedioate;titanium
CID 174779164
CID 174010549
CID 174010549
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423

Frequently Asked Questions

What is the IUPAC name of bis[4-(diethylamino)butyl] propanedioate?
The IUPAC name of bis[4-(diethylamino)butyl] propanedioate (CID 156562858) is bis[4-(diethylamino)butyl] propanedioate.
What is the SMILES notation for bis[4-(diethylamino)butyl] propanedioate?
The canonical SMILES for bis[4-(diethylamino)butyl] propanedioate is CCN(CC)CCCCOC(=O)CC(=O)OCCCCN(CC)CC.
What is the InChIKey of bis[4-(diethylamino)butyl] propanedioate?
The InChIKey is DUQBLMQOSBHCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-5-20(6-2)13-9-11-15-24-18(22)17-19(23)25-16-12-10-14-21(7-3)8-4/h5-17H2,1-4H3.
What are the key properties of bis[4-(diethylamino)butyl] propanedioate?
bis[4-(diethylamino)butyl] propanedioate has a molecular weight of 358.52 g/mol, XLogP of 2.71, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(diethylamino)butyl] propanedioate is sourced from PubChem (CID 156562858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).