2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate

C22H37NO3 — CID 92950589

IUPAC2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
SMILESCC[C@H](C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3/h9-12,18,21H,6-8,13-17H2,1-5H3/t21-/m0/s1
InChIKeyIWCUIKPFNBGDGZ-NRFANRHFSA-N
MW363.54 g/mol
LogP4.28
Rot. Bonds13

About 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate

2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate (PubChem CID 92950589) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
PubChem CID92950589
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
SMILESCC[C@H](C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3/h9-12,18,21H,6-8,13-17H2,1-5H3/t21-/m0/s1
InChIKeyIWCUIKPFNBGDGZ-NRFANRHFSA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethoxy]ethyl (2R)-2-[4-(2-methylpropyl)phenyl]butanoate
CID 92950588
2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819
sodium (2S)-2-[4-(2-methylpropyl)phenyl]butanoate
CID 121491967
[(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
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
2-(N-methylanilino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 71558422
4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 130237704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate (CID 92950589) is 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate is CC[C@H](C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate?
The InChIKey is IWCUIKPFNBGDGZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H37NO3/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3/h9-12,18,21H,6-8,13-17H2,1-5H3/t21-/m0/s1.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate?
2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate has a molecular weight of 363.54 g/mol, XLogP of 4.28, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl (2S)-2-[4-(2-methylpropyl)phenyl]butanoate is sourced from PubChem (CID 92950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).