methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate

C18H21NO3 — CID 82344726

IUPACmethyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
SMILESCOC(=O)C(NCCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-10-8-15(9-11-16)17(18(20)22-2)19-13-12-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyQAFHNZZJUIEGMG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.74
Rot. Bonds7

About methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate

methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate (PubChem CID 82344726) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
PubChem CID82344726
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
SMILESCOC(=O)C(NCCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-10-8-15(9-11-16)17(18(20)22-2)19-13-12-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyQAFHNZZJUIEGMG-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate (CID 82344726) is methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate is COC(=O)C(NCCc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate?
The InChIKey is QAFHNZZJUIEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-10-8-15(9-11-16)17(18(20)22-2)19-13-12-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate?
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate has a molecular weight of 299.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate is sourced from PubChem (CID 82344726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).