N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide

C24H25N3O4 — CID 136769030

IUPACN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
SMILESCC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-24(2,14-16-7-10-18(28)11-8-16)26-22(30)13-23(31)27-25-15-20-19-6-4-3-5-17(19)9-12-21(20)29/h3-12,15,28-29H,13-14H2,1-2H3,(H,26,30)(H,27,31)/b25-15-
InChIKeyQBRUELPZHSRKAX-MYYYXRDXSA-N
MW419.48 g/mol
LogP3.23
Rot. Bonds7

About N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide

N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide (PubChem CID 136769030) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
PubChem CID136769030
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
SMILESCC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-24(2,14-16-7-10-18(28)11-8-16)26-22(30)13-23(31)27-25-15-20-19-6-4-3-5-17(19)9-12-21(20)29/h3-12,15,28-29H,13-14H2,1-2H3,(H,26,30)(H,27,31)/b25-15-
InChIKeyQBRUELPZHSRKAX-MYYYXRDXSA-N
XLogP3.23
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245743
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 40559065
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N'-[(3-fluorophenyl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 3139426
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The IUPAC name of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide (CID 136769030) is N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide.
What is the SMILES notation for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The canonical SMILES for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide is CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The InChIKey is QBRUELPZHSRKAX-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-24(2,14-16-7-10-18(28)11-8-16)26-22(30)13-23(31)27-25-15-20-19-6-4-3-5-17(19)9-12-21(20)29/h3-12,15,28-29H,13-14H2,1-2H3,(H,26,30)(H,27,31)/b25-15-.
What are the key properties of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide has a molecular weight of 419.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide is sourced from PubChem (CID 136769030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).