propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate

C19H31NO2 — CID 90448513

IUPACpropan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
SMILESCCCN(CCC)c1ccc(CCCC(=O)OC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-5-14-20(15-6-2)18-12-10-17(11-13-18)8-7-9-19(21)22-16(3)4/h10-13,16H,5-9,14-15H2,1-4H3
InChIKeyODEBYDCUGMTRIY-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.59
Rot. Bonds10

About propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate

propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate (PubChem CID 90448513) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
PubChem CID90448513
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Namepropan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
SMILESCCCN(CCC)c1ccc(CCCC(=O)OC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-5-14-20(15-6-2)18-12-10-17(11-13-18)8-7-9-19(21)22-16(3)4/h10-13,16H,5-9,14-15H2,1-4H3
InChIKeyODEBYDCUGMTRIY-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate?
The IUPAC name of propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate (CID 90448513) is propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate.
What is the SMILES notation for propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate?
The canonical SMILES for propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate is CCCN(CCC)c1ccc(CCCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate?
The InChIKey is ODEBYDCUGMTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-14-20(15-6-2)18-12-10-17(11-13-18)8-7-9-19(21)22-16(3)4/h10-13,16H,5-9,14-15H2,1-4H3.
What are the key properties of propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate?
propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate has a molecular weight of 305.46 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate is sourced from PubChem (CID 90448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).