ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate

C14H21NO3 — CID 65236327

IUPACethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
SMILESCCOC(=O)CC(NC)c1cccc(OCC)c1
InChIInChI=1S/C14H21NO3/c1-4-17-12-8-6-7-11(9-12)13(15-3)10-14(16)18-5-2/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyGUSLOGQBLPRUFB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate

ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate (PubChem CID 65236327) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
PubChem CID65236327
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
SMILESCCOC(=O)CC(NC)c1cccc(OCC)c1
InChIInChI=1S/C14H21NO3/c1-4-17-12-8-6-7-11(9-12)13(15-3)10-14(16)18-5-2/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyGUSLOGQBLPRUFB-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

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Related Compounds

methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The IUPAC name of ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate (CID 65236327) is ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The canonical SMILES for ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate is CCOC(=O)CC(NC)c1cccc(OCC)c1.
What is the InChIKey of ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The InChIKey is GUSLOGQBLPRUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-12-8-6-7-11(9-12)13(15-3)10-14(16)18-5-2/h6-9,13,15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate 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 3-(3-ethoxyphenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 65236327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).