prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate

C20H23NO2 — CID 89259441

IUPACprop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate
SMILESC=C(C)OC(=O)C(NCc1ccc(CC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-4-16-10-12-17(13-11-16)14-21-19(20(22)23-15(2)3)18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3
InChIKeyDAFWPBOCBNUIFI-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.16
Rot. Bonds7

About prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate

prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate (PubChem CID 89259441) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate
PubChem CID89259441
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameprop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate
SMILESC=C(C)OC(=O)C(NCc1ccc(CC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-4-16-10-12-17(13-11-16)14-21-19(20(22)23-15(2)3)18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3
InChIKeyDAFWPBOCBNUIFI-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
tert-butyl 2-[(4-ethyl-2-fluorophenyl)methylamino]-2-phenylacetate
CID 71192085
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
CID 66415576

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate?
The IUPAC name of prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate (CID 89259441) is prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate.
What is the SMILES notation for prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate?
The canonical SMILES for prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate is C=C(C)OC(=O)C(NCc1ccc(CC)cc1)c1ccccc1.
What is the InChIKey of prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate?
The InChIKey is DAFWPBOCBNUIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-16-10-12-17(13-11-16)14-21-19(20(22)23-15(2)3)18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3.
What are the key properties of prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate?
prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate has a molecular weight of 309.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 89259441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).