ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate

C24H31NO3 — CID 139893090

IUPACethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc([C@@H]2CCC[C@@H](N[C@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31NO3/c1-3-27-24(26)17-28-23-14-8-12-21(16-23)20-11-7-13-22(15-20)25-18(2)19-9-5-4-6-10-19/h4-6,8-10,12,14,16,18,20,22,25H,3,7,11,13,15,17H2,1-2H3/t18-,20-,22-/m1/s1
InChIKeyFDLFQEFCEDTPDW-SYYKKAFVSA-N
MW381.52 g/mol
LogP5.01
Rot. Bonds8

About ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate

ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate (PubChem CID 139893090) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
PubChem CID139893090
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nameethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc([C@@H]2CCC[C@@H](N[C@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31NO3/c1-3-27-24(26)17-28-23-14-8-12-21(16-23)20-11-7-13-22(15-20)25-18(2)19-9-5-4-6-10-19/h4-6,8-10,12,14,16,18,20,22,25H,3,7,11,13,15,17H2,1-2H3/t18-,20-,22-/m1/s1
InChIKeyFDLFQEFCEDTPDW-SYYKKAFVSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate 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

2-[3-[3-[[(1R)-1-(3-methylphenyl)ethyl]amino]cyclopentyl]phenoxy]acetic acid
CID 67296471
ethyl 2-[[(6S)-6-[[(1S)-1-phenylethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11314618
ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
CID 68781218
ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate
CID 143216419
ethyl 2-[2-fluoro-4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetate
CID 67296309
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
CID 75298781
2-[4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
CID 18784154
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
CID 68781120
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate (CID 139893090) is ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate is CCOC(=O)COc1cccc([C@@H]2CCC[C@@H](N[C@H](C)c3ccccc3)C2)c1.
What is the InChIKey of ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate?
The InChIKey is FDLFQEFCEDTPDW-SYYKKAFVSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-27-24(26)17-28-23-14-8-12-21(16-23)20-11-7-13-22(15-20)25-18(2)19-9-5-4-6-10-19/h4-6,8-10,12,14,16,18,20,22,25H,3,7,11,13,15,17H2,1-2H3/t18-,20-,22-/m1/s1.
What are the key properties of ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate?
ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate has a molecular weight of 381.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate is sourced from PubChem (CID 139893090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).