N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide

C20H22ClN3O4 — CID 3303970

IUPACN-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
SMILESCCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-2)13-22-24-20(26)12-19(25)23-16-7-5-4-6-15(16)21/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDTRKDTURWPNONY-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.62
Rot. Bonds9

About N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide

N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide (PubChem CID 3303970) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
PubChem CID3303970
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
SMILESCCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-2)13-22-24-20(26)12-19(25)23-16-7-5-4-6-15(16)21/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDTRKDTURWPNONY-UHFFFAOYSA-N
XLogP3.62
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.62
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-ethylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3643210
ethyl 2-[4-[[[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 4556147
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
N-(2-chlorophenyl)-N'-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3976295
N-(2-chlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135683659
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 4261962
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320
ethyl 2-[4-[[[3-(2,3-dichloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3946821
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5217446
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5040782
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide (CID 3303970) is N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide is CCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide?
The InChIKey is DTRKDTURWPNONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-2)13-22-24-20(26)12-19(25)23-16-7-5-4-6-15(16)21/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide?
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide has a molecular weight of 403.87 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).