(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide

C18H18N2O3 — CID 7681327

IUPAC(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(18(21)20-12-14-6-4-3-5-7-14)23-16-9-8-15(11-19)10-17(16)22-2/h3-10,13H,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyYQWXDFUTYLKHTQ-CYBMUJFWSA-N
MW310.35 g/mol
LogP2.65
Rot. Bonds6

About (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide

(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide (PubChem CID 7681327) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
PubChem CID7681327
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(18(21)20-12-14-6-4-3-5-7-14)23-16-9-8-15(11-19)10-17(16)22-2/h3-10,13H,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyYQWXDFUTYLKHTQ-CYBMUJFWSA-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

Analyze (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 92752909
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
CID 23283338
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide (CID 7681327) is (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide?
The InChIKey is YQWXDFUTYLKHTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(18(21)20-12-14-6-4-3-5-7-14)23-16-9-8-15(11-19)10-17(16)22-2/h3-10,13H,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide?
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)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 (2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 7681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).