methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate

C19H19N3O4 — CID 47727905

IUPACmethyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O4/c1-13(26-17-6-4-5-14(11-17)12-20)18(23)21-15-7-9-16(10-8-15)22(2)19(24)25-3/h4-11,13H,1-3H3,(H,21,23)
InChIKeyMXOJDTUYOKROLL-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.17
Rot. Bonds5

About methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate

methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate (PubChem CID 47727905) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate
PubChem CID47727905
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O4/c1-13(26-17-6-4-5-14(11-17)12-20)18(23)21-15-7-9-16(10-8-15)22(2)19(24)25-3/h4-11,13H,1-3H3,(H,21,23)
InChIKeyMXOJDTUYOKROLL-UHFFFAOYSA-N
XLogP3.17
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate (CID 47727905) is methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)cc1.
What is the InChIKey of methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate?
The InChIKey is MXOJDTUYOKROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(26-17-6-4-5-14(11-17)12-20)18(23)21-15-7-9-16(10-8-15)22(2)19(24)25-3/h4-11,13H,1-3H3,(H,21,23).
What are the key properties of methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate?
methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate has a molecular weight of 353.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 47727905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).