ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate

C25H35NO2 — CID 10215894

IUPACethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
SMILESCCOC(=O)CC(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-6-28-24(27)19-25(22-13-9-7-10-14-22,23-15-11-8-12-16-23)17-18-26(20(2)3)21(4)5/h7-16,20-21H,6,17-19H2,1-5H3
InChIKeyZCTNXUKZNXIJOB-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.43
Rot. Bonds10

About ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate

ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate (PubChem CID 10215894) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate.

Molecular Properties

Compound Nameethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
PubChem CID10215894
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Nameethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
SMILESCCOC(=O)CC(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-6-28-24(27)19-25(22-13-9-7-10-14-22,23-15-11-8-12-16-23)17-18-26(20(2)3)21(4)5/h7-16,20-21H,6,17-19H2,1-5H3
InChIKeyZCTNXUKZNXIJOB-UHFFFAOYSA-N
XLogP5.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate?
The IUPAC name of ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate (CID 10215894) is ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate.
What is the SMILES notation for ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate?
The canonical SMILES for ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate is CCOC(=O)CC(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate?
The InChIKey is ZCTNXUKZNXIJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-6-28-24(27)19-25(22-13-9-7-10-14-22,23-15-11-8-12-16-23)17-18-26(20(2)3)21(4)5/h7-16,20-21H,6,17-19H2,1-5H3.
What are the key properties of ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate?
ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate has a molecular weight of 381.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate is sourced from PubChem (CID 10215894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).