N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide

C19H20ClN3O4 — CID 5111842

IUPACN-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1c(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cccc1OC
InChIInChI=1S/C19H20ClN3O4/c1-3-27-19-13(7-6-10-16(19)26-2)12-21-23-18(25)11-17(24)22-15-9-5-4-8-14(15)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGQBYIIFVVWPQDF-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.23
Rot. Bonds8

About N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide

N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 5111842) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
PubChem CID5111842
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1c(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cccc1OC
InChIInChI=1S/C19H20ClN3O4/c1-3-27-19-13(7-6-10-16(19)26-2)12-21-23-18(25)11-17(24)22-15-9-5-4-8-14(15)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGQBYIIFVVWPQDF-UHFFFAOYSA-N
XLogP3.23
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-(2-bromophenyl)-N'-[(3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 4022638
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3910509
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4019007
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3303970
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide (CID 5111842) is N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide is CCOc1c(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cccc1OC.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is GQBYIIFVVWPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-3-27-19-13(7-6-10-16(19)26-2)12-21-23-18(25)11-17(24)22-15-9-5-4-8-14(15)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 389.84 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 5111842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).