ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate

C15H23NO3 — CID 60874093

IUPACethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1cccc(OCC)c1
InChIInChI=1S/C15H23NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyHNVPIPRVISDLIS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds8

About ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate

ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate (PubChem CID 60874093) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
PubChem CID60874093
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1cccc(OCC)c1
InChIInChI=1S/C15H23NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyHNVPIPRVISDLIS-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

ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353489
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate (CID 60874093) is ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1cccc(OCC)c1.
What is the InChIKey of ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate?
The InChIKey is HNVPIPRVISDLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h7-9,11,14,16H,4-6,10H2,1-3H3.
What are the key properties of ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate?
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate 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 ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 60874093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).