[dodecyl(propanoyloxy)amino] propanoate

C18H35NO4 — CID 87471724

IUPAC[dodecyl(propanoyloxy)amino] propanoate
SMILESCCCCCCCCCCCCN(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C18H35NO4/c1-4-7-8-9-10-11-12-13-14-15-16-19(22-17(20)5-2)23-18(21)6-3/h4-16H2,1-3H3
InChIKeyZYFGXMFXMCEIDI-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.95
Rot. Bonds15

About [dodecyl(propanoyloxy)amino] propanoate

[dodecyl(propanoyloxy)amino] propanoate (PubChem CID 87471724) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is [dodecyl(propanoyloxy)amino] propanoate.

Molecular Properties

Compound Name[dodecyl(propanoyloxy)amino] propanoate
PubChem CID87471724
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name[dodecyl(propanoyloxy)amino] propanoate
SMILESCCCCCCCCCCCCN(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C18H35NO4/c1-4-7-8-9-10-11-12-13-14-15-16-19(22-17(20)5-2)23-18(21)6-3/h4-16H2,1-3H3
InChIKeyZYFGXMFXMCEIDI-UHFFFAOYSA-N
XLogP4.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[octyl(propanoyloxy)amino] propanoate
CID 87337944
[6-methylheptyl(propanoyloxy)amino] propanoate
CID 169002985
(dibutylamino) propanoate
CID 154448533
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533
sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride
CID 174049590
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
8-[heptyl(propanoyloxy)amino]octyl 2-butyloctanoate
CID 166072902
CID 87839414
CID 87839414
[butanoyl(butyl)amino] propanoate
CID 156703523
[methyl(tridecyl)amino] acetate
CID 87650867

Frequently Asked Questions

What is the IUPAC name of [dodecyl(propanoyloxy)amino] propanoate?
The IUPAC name of [dodecyl(propanoyloxy)amino] propanoate (CID 87471724) is [dodecyl(propanoyloxy)amino] propanoate.
What is the SMILES notation for [dodecyl(propanoyloxy)amino] propanoate?
The canonical SMILES for [dodecyl(propanoyloxy)amino] propanoate is CCCCCCCCCCCCN(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [dodecyl(propanoyloxy)amino] propanoate?
The InChIKey is ZYFGXMFXMCEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-4-7-8-9-10-11-12-13-14-15-16-19(22-17(20)5-2)23-18(21)6-3/h4-16H2,1-3H3.
What are the key properties of [dodecyl(propanoyloxy)amino] propanoate?
[dodecyl(propanoyloxy)amino] propanoate has a molecular weight of 329.48 g/mol, XLogP of 4.95, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecyl(propanoyloxy)amino] propanoate is sourced from PubChem (CID 87471724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).