N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide

C20H23N3O3 — CID 6034251

IUPACN-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
SMILESCC/C(=N/NC(=O)CCC(=O)Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-3-16(15-9-5-4-6-10-15)22-23-20(25)14-13-19(24)21-17-11-7-8-12-18(17)26-2/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-16-
InChIKeyVIMMQUVEANYKEL-JWGURIENSA-N
MW353.42 g/mol
LogP3.34
Rot. Bonds8

About N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide

N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide (PubChem CID 6034251) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
PubChem CID6034251
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
SMILESCC/C(=N/NC(=O)CCC(=O)Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-3-16(15-9-5-4-6-10-15)22-23-20(25)14-13-19(24)21-17-11-7-8-12-18(17)26-2/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-16-
InChIKeyVIMMQUVEANYKEL-JWGURIENSA-N
XLogP3.34
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135788644

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide (CID 6034251) is N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide is CC/C(=N/NC(=O)CCC(=O)Nc1ccccc1OC)c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide?
The InChIKey is VIMMQUVEANYKEL-JWGURIENSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-16(15-9-5-4-6-10-15)22-23-20(25)14-13-19(24)21-17-11-7-8-12-18(17)26-2/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-16-.
What are the key properties of N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide?
N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide is sourced from PubChem (CID 6034251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).