decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

C24H42N2O2 — CID 110186212

IUPACdecan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCCCCCC(CCC)OC(=O)C(NCCN(CC)CC)c1ccccc1
InChIInChI=1S/C24H42N2O2/c1-5-9-10-14-18-22(15-6-2)28-24(27)23(21-16-12-11-13-17-21)25-19-20-26(7-3)8-4/h11-13,16-17,22-23,25H,5-10,14-15,18-20H2,1-4H3
InChIKeyKGYHOTHGOLWSQK-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.34
Rot. Bonds16

About decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (PubChem CID 110186212) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Namedecan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
PubChem CID110186212
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Namedecan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCCCCCC(CCC)OC(=O)C(NCCN(CC)CC)c1ccccc1
InChIInChI=1S/C24H42N2O2/c1-5-9-10-14-18-22(15-6-2)28-24(27)23(21-16-12-11-13-17-21)25-19-20-26(7-3)8-4/h11-13,16-17,22-23,25H,5-10,14-15,18-20H2,1-4H3
InChIKeyKGYHOTHGOLWSQK-UHFFFAOYSA-N
XLogP5.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186176
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
(4R)-4-[(2R)-2-phenylpropanoyl]oxydodecanoic acid
CID 91206405
decan-4-yl benzoate
CID 13141769
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
N-methylmethanamine;octan-4-yl 3-hydroxy-2-phenylpropanoate
CID 155594508
1-phenylethyl 2-methyloctanoate
CID 121241177
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
1-phenylethyl 2-butyloctanoate
CID 129279140
octan-3-yl 3-amino-2-phenylpropanoate;dihydrochloride
CID 175184426
[(8R)-8-[(2S)-2-acetyloxy-2-phenylacetyl]oxytetradecyl] (2S)-2-acetyloxy-2-phenylacetate
CID 10769595

Frequently Asked Questions

What is the IUPAC name of decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The IUPAC name of decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (CID 110186212) is decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.
What is the SMILES notation for decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The canonical SMILES for decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is CCCCCCC(CCC)OC(=O)C(NCCN(CC)CC)c1ccccc1.
What is the InChIKey of decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The InChIKey is KGYHOTHGOLWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-5-9-10-14-18-22(15-6-2)28-24(27)23(21-16-12-11-13-17-21)25-19-20-26(7-3)8-4/h11-13,16-17,22-23,25H,5-10,14-15,18-20H2,1-4H3.
What are the key properties of decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate has a molecular weight of 390.61 g/mol, XLogP of 5.34, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is sourced from PubChem (CID 110186212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).