ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate

C23H29NO2 — CID 171699728

IUPACethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C23H29NO2/c1-3-26-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3
InChIKeyYEHBMPKIMPOXHY-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.81
Rot. Bonds7

About ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate

ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate (PubChem CID 171699728) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
PubChem CID171699728
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nameethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C23H29NO2/c1-3-26-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3
InChIKeyYEHBMPKIMPOXHY-UHFFFAOYSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate (CID 171699728) is ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate is CCOC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate?
The InChIKey is YEHBMPKIMPOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-26-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3.
What are the key properties of ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate?
ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 171699728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).