ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate

C24H31NO2 — CID 68781218

IUPACethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(C2CCC(NC(C)c3ccccc3)C2)cc1
InChIInChI=1S/C24H31NO2/c1-3-27-24(26)16-11-19-9-12-21(13-10-19)22-14-15-23(17-22)25-18(2)20-7-5-4-6-8-20/h4-10,12-13,18,22-23,25H,3,11,14-17H2,1-2H3
InChIKeyDZYDPRJNEDNGRE-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.17
Rot. Bonds8

About ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate

ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate (PubChem CID 68781218) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
PubChem CID68781218
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Nameethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(C2CCC(NC(C)c3ccccc3)C2)cc1
InChIInChI=1S/C24H31NO2/c1-3-27-24(26)16-11-19-9-12-21(13-10-19)22-14-15-23(17-22)25-18(2)20-7-5-4-6-8-20/h4-10,12-13,18,22-23,25H,3,11,14-17H2,1-2H3
InChIKeyDZYDPRJNEDNGRE-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-3-(1-phenylethylamino)cyclopentyl]phenyl]propanoic acid
CID 143807693
ethyl 3-[4-[(1S,3S)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentyl]phenyl]propanoate
CID 68777027
ethyl 3-[4-[(1S,3S)-3-[1-(1-benzothiophen-3-yl)ethylamino]cyclopentyl]phenyl]propanoate
CID 71016076
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
CID 68781120
ethyl 3-[4-[3-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethylamino]cyclopentyl]phenyl]propanoate
CID 68762463
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
CID 139893090
ethyl 2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]sulfanylacetate
CID 67296479
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600
ethyl 2-[4-[3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenyl]sulfanylacetate
CID 77261702
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]-2-phenylacetic acid
CID 59617228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate (CID 68781218) is ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate is CCOC(=O)CCc1ccc(C2CCC(NC(C)c3ccccc3)C2)cc1.
What is the InChIKey of ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate?
The InChIKey is DZYDPRJNEDNGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-27-24(26)16-11-19-9-12-21(13-10-19)22-14-15-23(17-22)25-18(2)20-7-5-4-6-8-20/h4-10,12-13,18,22-23,25H,3,11,14-17H2,1-2H3.
What are the key properties of ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate?
ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate has a molecular weight of 365.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate is sourced from PubChem (CID 68781218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).