N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C25H33ClN2O3 — CID 110515391

IUPACN-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C25H33ClN2O3/c1-3-4-5-6-7-8-9-16-31-24-15-12-21(17-23(24)26)19-27-28-25(29)18-20-10-13-22(30-2)14-11-20/h10-15,17,19H,3-9,16,18H2,1-2H3,(H,28,29)/b27-19-
InChIKeyINWPWMHSMMTADR-DIBXZPPDSA-N
MW445.00 g/mol
LogP6.17
Rot. Bonds14

About N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 110515391) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID110515391
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC NameN-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C25H33ClN2O3/c1-3-4-5-6-7-8-9-16-31-24-15-12-21(17-23(24)26)19-27-28-25(29)18-20-10-13-22(30-2)14-11-20/h10-15,17,19H,3-9,16,18H2,1-2H3,(H,28,29)/b27-19-
InChIKeyINWPWMHSMMTADR-DIBXZPPDSA-N
XLogP6.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.00
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide 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-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110525009
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515446
2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
CID 110515156
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
CID 110506895
[(3-chloro-4-pentoxyphenyl)methylideneamino]thiourea
CID 168534419
1-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-3-ethylthiourea
CID 110508681
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 110524963
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]acetamide
CID 110515651
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 110515391) is N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is CCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1Cl.
What is the InChIKey of N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is INWPWMHSMMTADR-DIBXZPPDSA-N. The full InChI is InChI=1S/C25H33ClN2O3/c1-3-4-5-6-7-8-9-16-31-24-15-12-21(17-23(24)26)19-27-28-25(29)18-20-10-13-22(30-2)14-11-20/h10-15,17,19H,3-9,16,18H2,1-2H3,(H,28,29)/b27-19-.
What are the key properties of N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 445.00 g/mol, XLogP of 6.17, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110515391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).