N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide

C21H25N3O3 — CID 3960762

IUPACN-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(OC(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-4-17-9-5-6-11-19(17)23-20(25)13-21(26)24-22-14-16-8-7-10-18(12-16)27-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVXZJOBXKRQQPNI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.52
Rot. Bonds8

About N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide

N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide (PubChem CID 3960762) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide
PubChem CID3960762
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(OC(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-4-17-9-5-6-11-19(17)23-20(25)13-21(26)24-22-14-16-8-7-10-18(12-16)27-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVXZJOBXKRQQPNI-UHFFFAOYSA-N
XLogP3.52
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135614342
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 3659907
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5217446
N-(2-ethylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3643210
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N'-[(Z)-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126168500
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4519852
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 3634457

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide (CID 3960762) is N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide is CCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(OC(C)C)c1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide?
The InChIKey is VXZJOBXKRQQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-17-9-5-6-11-19(17)23-20(25)13-21(26)24-22-14-16-8-7-10-18(12-16)27-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide?
N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3960762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).