ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate

C14H21NO3 — CID 65233774

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

About ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate

ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate (PubChem CID 65233774) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
PubChem CID65233774
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
SMILESCCNC(CC(=O)OCC)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-15-13(10-14(16)18-5-2)11-7-6-8-12(9-11)17-3/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyUZFGLBHNJRCMGN-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

ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 55879744
ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
CID 132919286
ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 47926217
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate (CID 65233774) is ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate is CCNC(CC(=O)OCC)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate?
The InChIKey is UZFGLBHNJRCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15-13(10-14(16)18-5-2)11-7-6-8-12(9-11)17-3/h6-9,13,15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate?
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)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-(ethylamino)-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 65233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).