2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

C19H31NO2 — CID 135390819

IUPAC2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCCN(CC)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-6-20(7-2)12-13-22-19(21)16(5)18-10-8-17(9-11-18)14-15(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3/t16-/m1/s1
InChIKeyLMNZWAJFILAFEC-MRXNPFEDSA-N
MW305.46 g/mol
LogP3.87
Rot. Bonds9

About 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 135390819) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID135390819
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCCN(CC)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-6-20(7-2)12-13-22-19(21)16(5)18-10-8-17(9-11-18)14-15(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3/t16-/m1/s1
InChIKeyLMNZWAJFILAFEC-MRXNPFEDSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
CID 92950589
2-[2-(diethylamino)ethoxy]ethyl (2R)-2-[4-(2-methylpropyl)phenyl]butanoate
CID 92950588
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 71558422
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
but-3-enyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175830731
(5-methyl-4-oxohexyl) 2-[4-(2-methylpropyl)phenyl]propanoate;vanadium
CID 143892618
7-[6-decylhexadecyl(4-hydroxybutyl)amino]heptyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 177352986

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 135390819) is 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is CCN(CC)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is LMNZWAJFILAFEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-20(7-2)12-13-22-19(21)16(5)18-10-8-17(9-11-18)14-15(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3/t16-/m1/s1.
What are the key properties of 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 305.46 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 135390819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).