tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate

C19H28ClNO2 — CID 70692729

IUPACtert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)CC1CCCC1
InChIInChI=1S/C19H28ClNO2/c1-19(2,3)23-18(22)14-21(12-15-6-4-5-7-15)13-16-8-10-17(20)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3
InChIKeyXUQBVKQJRGJVIJ-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.67
Rot. Bonds6

About tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate

tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate (PubChem CID 70692729) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate
PubChem CID70692729
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Nametert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)CC1CCCC1
InChIInChI=1S/C19H28ClNO2/c1-19(2,3)23-18(22)14-21(12-15-6-4-5-7-15)13-16-8-10-17(20)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3
InChIKeyXUQBVKQJRGJVIJ-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate (CID 70692729) is tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate is CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)CC1CCCC1.
What is the InChIKey of tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate?
The InChIKey is XUQBVKQJRGJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-19(2,3)23-18(22)14-21(12-15-6-4-5-7-15)13-16-8-10-17(20)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3.
What are the key properties of tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate?
tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate has a molecular weight of 337.89 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-chlorophenyl)methyl-(cyclopentylmethyl)amino]acetate is sourced from PubChem (CID 70692729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).