2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate

C24H31NO2 — CID 30635

IUPAC2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate
SMILESCCCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C24H31NO2/c1-2-17-25(22-15-9-10-16-22)18-19-27-24(26)23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3
InChIKeyLPWBACNGAOLPSB-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.02
Rot. Bonds9

About 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate

2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate (PubChem CID 30635) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate
PubChem CID30635
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate
SMILESCCCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C24H31NO2/c1-2-17-25(22-15-9-10-16-22)18-19-27-24(26)23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3
InChIKeyLPWBACNGAOLPSB-UHFFFAOYSA-N
XLogP5.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate?
The IUPAC name of 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate (CID 30635) is 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate.
What is the SMILES notation for 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate?
The canonical SMILES for 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate is CCCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate?
The InChIKey is LPWBACNGAOLPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-2-17-25(22-15-9-10-16-22)18-19-27-24(26)23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22-23H,2,9-10,15-19H2,1H3.
What are the key properties of 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate?
2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate has a molecular weight of 365.52 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(propyl)amino]ethyl 2,2-diphenylacetate is sourced from PubChem (CID 30635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).