propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate

C16H31NO4 — CID 58040528

IUPACpropyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
SMILESCCCCN(CCC(=O)OCCC)CCC(=O)OCCC
InChIInChI=1S/C16H31NO4/c1-4-7-10-17(11-8-15(18)20-13-5-2)12-9-16(19)21-14-6-3/h4-14H2,1-3H3
InChIKeyJLTXEGMPUVSVTD-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.78
Rot. Bonds13

About propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate

propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate (PubChem CID 58040528) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate.

Molecular Properties

Compound Namepropyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
PubChem CID58040528
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namepropyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
SMILESCCCCN(CCC(=O)OCCC)CCC(=O)OCCC
InChIInChI=1S/C16H31NO4/c1-4-7-10-17(11-8-15(18)20-13-5-2)12-9-16(19)21-14-6-3/h4-14H2,1-3H3
InChIKeyJLTXEGMPUVSVTD-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
propyl 3-[3-butylsulfanylpropyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoate
CID 165003528
tetradecyl 3-[3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 73389645
tridecyl 3-[3-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389555
tridecyl 3-[3-[2-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-butylamino]ethyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389648
propyl 3-[3-[3-[bis[3-[(Z)-oct-3-enoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[(Z)-oct-3-enoxy]-3-oxopropyl]amino]propanoate
CID 174252420
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
2-(dioctadecylamino)ethyl 3-[2-[[3-[2-(dioctadecylamino)ethoxy]-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propanoate
CID 168851339
5-[bis(3-oxo-3-tetradecoxypropyl)amino]pentanoic acid
CID 163227526
2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307

Frequently Asked Questions

What is the IUPAC name of propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate?
The IUPAC name of propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate (CID 58040528) is propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate.
What is the SMILES notation for propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate?
The canonical SMILES for propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate is CCCCN(CCC(=O)OCCC)CCC(=O)OCCC.
What is the InChIKey of propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate?
The InChIKey is JLTXEGMPUVSVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-4-7-10-17(11-8-15(18)20-13-5-2)12-9-16(19)21-14-6-3/h4-14H2,1-3H3.
What are the key properties of propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate?
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate has a molecular weight of 301.43 g/mol, XLogP of 2.78, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate is sourced from PubChem (CID 58040528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).