(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide

C18H18N2O4 — CID 7757378

IUPAC(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-12(18(21)20-14-6-4-5-7-15(14)22-2)24-16-9-8-13(11-19)10-17(16)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyLJSXVRQCVWMGCU-LBPRGKRZSA-N
MW326.35 g/mol
LogP2.98
Rot. Bonds6

About (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide

(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide (PubChem CID 7757378) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
PubChem CID7757378
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-12(18(21)20-14-6-4-5-7-15(14)22-2)24-16-9-8-13(11-19)10-17(16)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyLJSXVRQCVWMGCU-LBPRGKRZSA-N
XLogP2.98
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 9384005
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide (CID 7757378) is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC.
What is the InChIKey of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide?
The InChIKey is LJSXVRQCVWMGCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(18(21)20-14-6-4-5-7-15(14)22-2)24-16-9-8-13(11-19)10-17(16)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide?
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide has a molecular weight of 326.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 7757378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).