methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate

C18H22N2O3 — CID 167111381

IUPACmethyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
SMILESCCCCc1ccc(Oc2ccc(NCC(=O)OC)cn2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-4-5-14-6-9-16(10-7-14)23-17-11-8-15(12-20-17)19-13-18(21)22-2/h6-12,19H,3-5,13H2,1-2H3
InChIKeyPWRVCAICOZYXLL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.80
Rot. Bonds8

About methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate

methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate (PubChem CID 167111381) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
PubChem CID167111381
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namemethyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
SMILESCCCCc1ccc(Oc2ccc(NCC(=O)OC)cn2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-4-5-14-6-9-16(10-7-14)23-17-11-8-15(12-20-17)19-13-18(21)22-2/h6-12,19H,3-5,13H2,1-2H3
InChIKeyPWRVCAICOZYXLL-UHFFFAOYSA-N
XLogP3.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
2-[(6-butoxy-3-pyridinyl)amino]acetic acid
CID 3028450
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
ethyl 3-[4-[[5-[2-(3,4-dichlorophenyl)ethylamino]-2-pyridinyl]oxy]phenyl]propanoate
CID 68528708
methyl 2-(4-butylphenyl)acetate
CID 10442975
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
CID 1381394
2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide
CID 10201954
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate (CID 167111381) is methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate is CCCCc1ccc(Oc2ccc(NCC(=O)OC)cn2)cc1.
What is the InChIKey of methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate?
The InChIKey is PWRVCAICOZYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-4-5-14-6-9-16(10-7-14)23-17-11-8-15(12-20-17)19-13-18(21)22-2/h6-12,19H,3-5,13H2,1-2H3.
What are the key properties of methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate?
methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate has a molecular weight of 314.39 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate is sourced from PubChem (CID 167111381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).