ethyl 3-(4-phenylbutan-2-ylamino)propanoate

C15H23NO2 — CID 24773124

IUPACethyl 3-(4-phenylbutan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-15(17)11-12-16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyRJZVJMLYUMKPHF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds8

About ethyl 3-(4-phenylbutan-2-ylamino)propanoate

ethyl 3-(4-phenylbutan-2-ylamino)propanoate (PubChem CID 24773124) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3-(4-phenylbutan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-phenylbutan-2-ylamino)propanoate
PubChem CID24773124
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3-(4-phenylbutan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-15(17)11-12-16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyRJZVJMLYUMKPHF-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(4-phenylbutan-2-ylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-phenylethylamino)pentanoate
CID 67423841
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 4-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]butanoate;hydroiodide
CID 111172642
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 2-(3,5-diphenylpentylamino)acetate
CID 21019958
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
ethyl 2-benzyl-3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate
CID 174660522

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-phenylbutan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(4-phenylbutan-2-ylamino)propanoate (CID 24773124) is ethyl 3-(4-phenylbutan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-phenylbutan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(4-phenylbutan-2-ylamino)propanoate is CCOC(=O)CCNC(C)CCc1ccccc1.
What is the InChIKey of ethyl 3-(4-phenylbutan-2-ylamino)propanoate?
The InChIKey is RJZVJMLYUMKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15(17)11-12-16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3.
What are the key properties of ethyl 3-(4-phenylbutan-2-ylamino)propanoate?
ethyl 3-(4-phenylbutan-2-ylamino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-phenylbutan-2-ylamino)propanoate is sourced from PubChem (CID 24773124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).