[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate

C17H25NO2 — CID 175089651

IUPAC[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(c1ccccc1)N(CC)CC
InChIInChI=1S/C17H25NO2/c1-6-18(7-2)16(15-11-9-8-10-12-15)14(5)20-17(19)13(3)4/h8-12,14,16H,3,6-7H2,1-2,4-5H3
InChIKeyXBEJNBAEAPTCTI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.58
Rot. Bonds7

About [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate

[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate (PubChem CID 175089651) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate
PubChem CID175089651
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(c1ccccc1)N(CC)CC
InChIInChI=1S/C17H25NO2/c1-6-18(7-2)16(15-11-9-8-10-12-15)14(5)20-17(19)13(3)4/h8-12,14,16H,3,6-7H2,1-2,4-5H3
InChIKeyXBEJNBAEAPTCTI-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
(1-amino-1-phenylpropan-2-yl) 2-methylprop-2-enoate;hydrochloride
CID 173341701
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1,3-dibenzhydryloxypropan-2-yl 2-methylprop-2-enoate
CID 175128575
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate (CID 175089651) is [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(c1ccccc1)N(CC)CC.
What is the InChIKey of [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is XBEJNBAEAPTCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-6-18(7-2)16(15-11-9-8-10-12-15)14(5)20-17(19)13(3)4/h8-12,14,16H,3,6-7H2,1-2,4-5H3.
What are the key properties of [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate?
[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 275.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 175089651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).