(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide

C20H23ClN2O5 — CID 5431291

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-12-10-15(7-8-16(12)21)28-13(2)20(24)23-22-11-14-6-9-17(25-3)19(27-5)18(14)26-4/h6-11,13H,1-5H3,(H,23,24)/b22-11-/t13-/m1/s1
InChIKeyVFOGTUBNTPTVQI-MYSNOUKZSA-N
MW406.87 g/mol
LogP3.59
Rot. Bonds8

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide (PubChem CID 5431291) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
PubChem CID5431291
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-12-10-15(7-8-16(12)21)28-13(2)20(24)23-22-11-14-6-9-17(25-3)19(27-5)18(14)26-4/h6-11,13H,1-5H3,(H,23,24)/b22-11-/t13-/m1/s1
InChIKeyVFOGTUBNTPTVQI-MYSNOUKZSA-N
XLogP3.59
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
CID 137206859
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]propanamide
CID 136790469
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide
CID 17169264
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
(2S)-N-[(E)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 39365729
(2S)-N-[(Z)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 31087323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide (CID 5431291) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide is COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is VFOGTUBNTPTVQI-MYSNOUKZSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-12-10-15(7-8-16(12)21)28-13(2)20(24)23-22-11-14-6-9-17(25-3)19(27-5)18(14)26-4/h6-11,13H,1-5H3,(H,23,24)/b22-11-/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 406.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5431291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).