ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate

C28H33NO2 — CID 68781120

IUPACethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(C2CCC(N[C@H](C)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C28H33NO2/c1-3-31-28(30)17-14-21-8-6-11-23(18-21)24-15-16-25(19-24)29-20(2)26-13-7-10-22-9-4-5-12-27(22)26/h4-13,18,20,24-25,29H,3,14-17,19H2,1-2H3/t20-,24?,25?/m1/s1
InChIKeyISAUCQGVUBCYHX-NWSMCOELSA-N
MW415.58 g/mol
LogP6.32
Rot. Bonds8

About ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate

ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate (PubChem CID 68781120) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
PubChem CID68781120
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Nameethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(C2CCC(N[C@H](C)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C28H33NO2/c1-3-31-28(30)17-14-21-8-6-11-23(18-21)24-15-16-25(19-24)29-20(2)26-13-7-10-22-9-4-5-12-27(22)26/h4-13,18,20,24-25,29H,3,14-17,19H2,1-2H3/t20-,24?,25?/m1/s1
InChIKeyISAUCQGVUBCYHX-NWSMCOELSA-N
XLogP6.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]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

2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[3-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid;hydrochloride
CID 67296019
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600
ethyl 2-[2-fluoro-4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetate
CID 67296309
ethyl 2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]sulfanylacetate
CID 67296479
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
ethyl 3-[4-[(1S,3S)-3-[1-(1-benzothiophen-3-yl)ethylamino]cyclopentyl]phenyl]propanoate
CID 71016076
ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
CID 68781218
cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
CID 88918861
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate (CID 68781120) is ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate is CCOC(=O)CCc1cccc(C2CCC(N[C@H](C)c3cccc4ccccc34)C2)c1.
What is the InChIKey of ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate?
The InChIKey is ISAUCQGVUBCYHX-NWSMCOELSA-N. The full InChI is InChI=1S/C28H33NO2/c1-3-31-28(30)17-14-21-8-6-11-23(18-21)24-15-16-25(19-24)29-20(2)26-13-7-10-22-9-4-5-12-27(22)26/h4-13,18,20,24-25,29H,3,14-17,19H2,1-2H3/t20-,24?,25?/m1/s1.
What are the key properties of ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate?
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate has a molecular weight of 415.58 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate is sourced from PubChem (CID 68781120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).