2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide

C20H23ClN2O4 — CID 110524998

IUPAC2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-10-27-20-14(6-5-7-18(20)26-3)13-22-23-19(24)12-15-11-16(25-2)8-9-17(15)21/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,24)/b22-13+
InChIKeyYTVNCYCPMUYVTQ-LPYMAVHISA-N
MW390.87 g/mol
LogP3.84
Rot. Bonds9

About 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide

2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide (PubChem CID 110524998) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
PubChem CID110524998
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-10-27-20-14(6-5-7-18(20)26-3)13-22-23-19(24)12-15-11-16(25-2)8-9-17(15)21/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,24)/b22-13+
InChIKeyYTVNCYCPMUYVTQ-LPYMAVHISA-N
XLogP3.84
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110525315
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4019007
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 110524963
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136874780
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
CID 110524973
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110525009
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide (CID 110524998) is 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide is CCCOc1c(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cccc1OC.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is YTVNCYCPMUYVTQ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-10-27-20-14(6-5-7-18(20)26-3)13-22-23-19(24)12-15-11-16(25-2)8-9-17(15)21/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,24)/b22-13+.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110524998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).