ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate

C14H21NO3 — CID 65233826

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

About ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate

ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 65233826) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
PubChem CID65233826
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
SMILESCCNC(CC(=O)OCC)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-15-13(10-14(16)18-5-2)11-6-8-12(17-3)9-7-11/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyQDSFPZIRIMOABS-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-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate (CID 65233826) is ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate is CCNC(CC(=O)OCC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is QDSFPZIRIMOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15-13(10-14(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 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
ethyl 3-(ethylamino)-3-(4-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-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 65233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).