(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate

C19H26FNO3 — CID 43020983

IUPAC(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCC(C)(C)NC(=O)CC1(C(=O)OCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H26FNO3/c1-18(2,3)21-16(22)12-19(10-4-5-11-19)17(23)24-13-14-6-8-15(20)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyJJTFRNXZYUSPRM-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.73
Rot. Bonds5

About (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate

(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate (PubChem CID 43020983) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
PubChem CID43020983
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCC(C)(C)NC(=O)CC1(C(=O)OCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H26FNO3/c1-18(2,3)21-16(22)12-19(10-4-5-11-19)17(23)24-13-14-6-8-15(20)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyJJTFRNXZYUSPRM-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate (CID 43020983) is (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate is CC(C)(C)NC(=O)CC1(C(=O)OCc2ccc(F)cc2)CCCC1.
What is the InChIKey of (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate?
The InChIKey is JJTFRNXZYUSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-18(2,3)21-16(22)12-19(10-4-5-11-19)17(23)24-13-14-6-8-15(20)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,21,22).
What are the key properties of (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate?
(4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate has a molecular weight of 335.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 43020983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).