N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide

C20H23N3O2 — CID 3655252

IUPACN-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)17-10-8-16(9-11-17)13-21-23-20(25)12-19(24)22-18-7-5-4-6-15(18)3/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRIBCGVFFHSJLFI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds6

About N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide

N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide (PubChem CID 3655252) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
PubChem CID3655252
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)17-10-8-16(9-11-17)13-21-23-20(25)12-19(24)22-18-7-5-4-6-15(18)3/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRIBCGVFFHSJLFI-UHFFFAOYSA-N
XLogP3.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126267861
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135821509
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
1-(2,3-dimethylphenyl)-3-[(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 2382747
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4082454

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide (CID 3655252) is N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide is Cc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The InChIKey is RIBCGVFFHSJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)17-10-8-16(9-11-17)13-21-23-20(25)12-19(24)22-18-7-5-4-6-15(18)3/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide has a molecular weight of 337.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3655252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).