methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate

C17H26ClNO2 — CID 145147930

IUPACmethyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate
SMILESCCCC(CCC)(CNCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c1-4-10-17(11-5-2,13-19-12-16(20)21-3)14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3
InChIKeyPIUYSDLZEJZFJI-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.94
Rot. Bonds9

About methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate

methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate (PubChem CID 145147930) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate
PubChem CID145147930
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate
SMILESCCCC(CCC)(CNCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c1-4-10-17(11-5-2,13-19-12-16(20)21-3)14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3
InChIKeyPIUYSDLZEJZFJI-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate (CID 145147930) is methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate is CCCC(CCC)(CNCC(=O)OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate?
The InChIKey is PIUYSDLZEJZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-10-17(11-5-2,13-19-12-16(20)21-3)14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3.
What are the key properties of methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate?
methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate has a molecular weight of 311.85 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)-2-propylpentyl]amino]acetate is sourced from PubChem (CID 145147930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).