N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

C20H23N3O4 — CID 6018671

IUPACN'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCOc1cccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-10-6-9-16(20(17)27-2)14-22-23-19(25)13-18(24)21-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyKRWGZTHNBXDWEJ-HMAPJEAMSA-N
MW369.42 g/mol
LogP1.90
Rot. Bonds9

About N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 6018671) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID6018671
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCOc1cccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-10-6-9-16(20(17)27-2)14-22-23-19(25)13-18(24)21-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyKRWGZTHNBXDWEJ-HMAPJEAMSA-N
XLogP1.90
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.90
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-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 92511766
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 4270382
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 23723111

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (CID 6018671) is N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is COc1cccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c1OC.
What is the InChIKey of N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is KRWGZTHNBXDWEJ-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-10-6-9-16(20(17)27-2)14-22-23-19(25)13-18(24)21-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,23,25)/b22-14-.
What are the key properties of N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 369.42 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 6018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).