2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide

C18H18N2O3 — CID 51143681

IUPAC2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(21)20-12-15-5-3-4-6-17(15)22-2/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyPYLSAJVUFKWYFR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 51143681) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID51143681
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(21)20-12-15-5-3-4-6-17(15)22-2/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyPYLSAJVUFKWYFR-UHFFFAOYSA-N
XLogP2.65
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984078
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55517677
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86843627
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 47050200

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (CID 51143681) is 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is PYLSAJVUFKWYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(21)20-12-15-5-3-4-6-17(15)22-2/h3-10,13H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 51143681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).