methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate

C19H18N2O4 — CID 10315069

IUPACmethyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O4/c1-24-18(22)13-25-17-8-4-14(5-9-17)10-11-21-19(23)16-6-2-15(12-20)3-7-16/h2-9H,10-11,13H2,1H3,(H,21,23)
InChIKeyWEPILEIPVBOSCC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.08
Rot. Bonds7

About methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate

methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate (PubChem CID 10315069) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate
PubChem CID10315069
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O4/c1-24-18(22)13-25-17-8-4-14(5-9-17)10-11-21-19(23)16-6-2-15(12-20)3-7-16/h2-9H,10-11,13H2,1H3,(H,21,23)
InChIKeyWEPILEIPVBOSCC-UHFFFAOYSA-N
XLogP2.08
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
4-cyano-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796564
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
CID 26682548
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 17123750
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
methyl 2-(4-propylphenoxy)acetate
CID 19911850
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate (CID 10315069) is methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate is COC(=O)COc1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate?
The InChIKey is WEPILEIPVBOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-18(22)13-25-17-8-4-14(5-9-17)10-11-21-19(23)16-6-2-15(12-20)3-7-16/h2-9H,10-11,13H2,1H3,(H,21,23).
What are the key properties of methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate?
methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate is sourced from PubChem (CID 10315069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).