2-butoxyethyl 2-(diethylamino)-2-phenylacetate

C18H29NO3 — CID 75452248

IUPAC2-butoxyethyl 2-(diethylamino)-2-phenylacetate
SMILESCCCCOCCOC(=O)C(c1ccccc1)N(CC)CC
InChIInChI=1S/C18H29NO3/c1-4-7-13-21-14-15-22-18(20)17(19(5-2)6-3)16-11-9-8-10-12-16/h8-12,17H,4-7,13-15H2,1-3H3
InChIKeyVQNYKMQZYQVXSF-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.43
Rot. Bonds11

About 2-butoxyethyl 2-(diethylamino)-2-phenylacetate

2-butoxyethyl 2-(diethylamino)-2-phenylacetate (PubChem CID 75452248) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-butoxyethyl 2-(diethylamino)-2-phenylacetate.

Molecular Properties

Compound Name2-butoxyethyl 2-(diethylamino)-2-phenylacetate
PubChem CID75452248
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-butoxyethyl 2-(diethylamino)-2-phenylacetate
SMILESCCCCOCCOC(=O)C(c1ccccc1)N(CC)CC
InChIInChI=1S/C18H29NO3/c1-4-7-13-21-14-15-22-18(20)17(19(5-2)6-3)16-11-9-8-10-12-16/h8-12,17H,4-7,13-15H2,1-3H3
InChIKeyVQNYKMQZYQVXSF-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.43
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-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
2-butoxyethyl 2-benzyl-3-methylbutanoate
CID 169153476
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
CID 16393
argon;butyl 2-phenyl-2-sulfanylacetate
CID 161381761
(2R)-3-butoxy-3-oxo-2-phenylpropanoic acid
CID 129385176
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
CID 97262289

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-(diethylamino)-2-phenylacetate?
The IUPAC name of 2-butoxyethyl 2-(diethylamino)-2-phenylacetate (CID 75452248) is 2-butoxyethyl 2-(diethylamino)-2-phenylacetate.
What is the SMILES notation for 2-butoxyethyl 2-(diethylamino)-2-phenylacetate?
The canonical SMILES for 2-butoxyethyl 2-(diethylamino)-2-phenylacetate is CCCCOCCOC(=O)C(c1ccccc1)N(CC)CC.
What is the InChIKey of 2-butoxyethyl 2-(diethylamino)-2-phenylacetate?
The InChIKey is VQNYKMQZYQVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-7-13-21-14-15-22-18(20)17(19(5-2)6-3)16-11-9-8-10-12-16/h8-12,17H,4-7,13-15H2,1-3H3.
What are the key properties of 2-butoxyethyl 2-(diethylamino)-2-phenylacetate?
2-butoxyethyl 2-(diethylamino)-2-phenylacetate has a molecular weight of 307.43 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-(diethylamino)-2-phenylacetate is sourced from PubChem (CID 75452248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).