methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate

C15H23NO3 — CID 65234778

IUPACmethyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
SMILESCCCOc1cccc(C(CC(=O)OC)NCC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(16-5-2)11-15(17)18-3/h6-8,10,14,16H,4-5,9,11H2,1-3H3
InChIKeyTUORYHYFYYEVRT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds8

About methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate

methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate (PubChem CID 65234778) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
PubChem CID65234778
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
SMILESCCCOc1cccc(C(CC(=O)OC)NCC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(16-5-2)11-15(17)18-3/h6-8,10,14,16H,4-5,9,11H2,1-3H3
InChIKeyTUORYHYFYYEVRT-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
2-(3-propoxyphenyl)butanoic acid
CID 54432962
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate (CID 65234778) is methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate is CCCOc1cccc(C(CC(=O)OC)NCC)c1.
What is the InChIKey of methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate?
The InChIKey is TUORYHYFYYEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(16-5-2)11-15(17)18-3/h6-8,10,14,16H,4-5,9,11H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate?
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate is sourced from PubChem (CID 65234778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).