ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate

C14H21NO3 — CID 60795637

IUPACethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-10-15-13(14(16)18-5-2)11-6-8-12(17-3)9-7-11/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyFDKOLSVPQHPIET-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate

ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate (PubChem CID 60795637) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
PubChem CID60795637
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-10-15-13(14(16)18-5-2)11-6-8-12(17-3)9-7-11/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyFDKOLSVPQHPIET-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate (CID 60795637) is ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate?
The InChIKey is FDKOLSVPQHPIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-15-13(14(16)18-5-2)11-6-8-12(17-3)9-7-11/h6-9,13,15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate?
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 60795637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).