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

C23H29N3O3 — CID 4253817

IUPACN-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(NC(=O)C(C(=O)NN=Cc2ccc(C(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H29N3O3/c1-15(2)18-8-6-17(7-9-18)14-24-26-23(28)21(16(3)4)22(27)25-19-10-12-20(29-5)13-11-19/h6-16,21H,1-5H3,(H,25,27)(H,26,28)
InChIKeyUKDUGCDQKXMXRK-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.18
Rot. Bonds8

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

N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide (PubChem CID 4253817) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
PubChem CID4253817
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(NC(=O)C(C(=O)NN=Cc2ccc(C(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H29N3O3/c1-15(2)18-8-6-17(7-9-18)14-24-26-23(28)21(16(3)4)22(27)25-19-10-12-20(29-5)13-11-19/h6-16,21H,1-5H3,(H,25,27)(H,26,28)
InChIKeyUKDUGCDQKXMXRK-UHFFFAOYSA-N
XLogP4.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.18
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-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide
CID 3459143
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 135625793
N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 3965802
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5109215
N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 4027713
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4043475
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 40566273
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 4683985
N-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 4309026

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide (CID 4253817) is N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide is COc1ccc(NC(=O)C(C(=O)NN=Cc2ccc(C(C)C)cc2)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
The InChIKey is UKDUGCDQKXMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15(2)18-8-6-17(7-9-18)14-24-26-23(28)21(16(3)4)22(27)25-19-10-12-20(29-5)13-11-19/h6-16,21H,1-5H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide?
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide has a molecular weight of 395.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).