pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate

C19H27NO2 — CID 141414414

IUPACpyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(C(=O)OC2CCNC2)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)19(21)22-17-11-12-20-13-17/h7-10,15,17-18,20H,2-6,11-13H2,1H3
InChIKeyKLUNOMJMNIPHQV-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.56
Rot. Bonds4

About pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate

pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate (PubChem CID 141414414) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namepyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate
PubChem CID141414414
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namepyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(C(=O)OC2CCNC2)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)19(21)22-17-11-12-20-13-17/h7-10,15,17-18,20H,2-6,11-13H2,1H3
InChIKeyKLUNOMJMNIPHQV-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2031
Drofenine
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Pyrrolidin-3-yl 2-hydroxy-2,2-diphenylacetate
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CID 72082
2-(3,3-Dimethylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate
CID 407413
Drofenine, (R)-
CID 6604271
Diphenyl-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746800
2-(Methylamino)ethyl 2,2-diphenylpentanoate;hydrochloride
CID 44537299
(1-Methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
CID 45267212
2-Pyrrolidin-1-ylethyl 2,2-diphenylpropanoate
CID 45267213
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-phenylpropanoate bromide
CID 57393498
Acetic acid, diphenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
CID 17644

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate?
The IUPAC name of pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate (CID 141414414) is pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate.
What is the SMILES notation for pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate?
The canonical SMILES for pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate is Cc1ccc(C(C(=O)OC2CCNC2)C2CCCCC2)cc1.
What is the InChIKey of pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate?
The InChIKey is KLUNOMJMNIPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)19(21)22-17-11-12-20-13-17/h7-10,15,17-18,20H,2-6,11-13H2,1H3.
What are the key properties of pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate?
pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate has a molecular weight of 301.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate is sourced from PubChem (CID 141414414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).