N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide

C25H28N2O3 — CID 126266627

IUPACN-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)c(OC(C)C)c1
InChIInChI=1S/C25H28N2O3/c1-17(2)29-22-13-12-21(24(15-22)30-18(3)4)16-26-27-25(28)14-20-10-7-9-19-8-5-6-11-23(19)20/h5-13,15-18H,14H2,1-4H3,(H,27,28)/b26-16-
InChIKeyQMWCPHYEKLTKBJ-QQXSKIMKSA-N
MW404.51 g/mol
LogP5.11
Rot. Bonds8

About N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 126266627) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID126266627
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)c(OC(C)C)c1
InChIInChI=1S/C25H28N2O3/c1-17(2)29-22-13-12-21(24(15-22)30-18(3)4)16-26-27-25(28)14-20-10-7-9-19-8-5-6-11-23(19)20/h5-13,15-18H,14H2,1-4H3,(H,27,28)/b26-16-
InChIKeyQMWCPHYEKLTKBJ-QQXSKIMKSA-N
XLogP5.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
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'}

Analyze N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367979
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5457924
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 165344462
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475
N-[(E)-(5-chloro-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 124555287
N-[(5-bromo-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3630225

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide (CID 126266627) is N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is CC(C)Oc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)c(OC(C)C)c1.
What is the InChIKey of N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is QMWCPHYEKLTKBJ-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17(2)29-22-13-12-21(24(15-22)30-18(3)4)16-26-27-25(28)14-20-10-7-9-19-8-5-6-11-23(19)20/h5-13,15-18H,14H2,1-4H3,(H,27,28)/b26-16-.
What are the key properties of N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 404.51 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 126266627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).