N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide

C27H28FN3O5 — CID 3963047

IUPACN-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCCOc1cc(C=NNC(=O)C(C)NC(=O)COc2ccccc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C27H28FN3O5/c1-3-34-25-15-21(11-14-24(25)36-17-20-9-12-22(28)13-10-20)16-29-31-27(33)19(2)30-26(32)18-35-23-7-5-4-6-8-23/h4-16,19H,3,17-18H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyYSXKIVRXXLCPNL-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.84
Rot. Bonds12

About N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide

N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 3963047) has the molecular formula C27H28FN3O5 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID3963047
Molecular FormulaC27H28FN3O5
Molecular Weight493.54 g/mol
Exact Mass493.20
IUPAC NameN-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCCOc1cc(C=NNC(=O)C(C)NC(=O)COc2ccccc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C27H28FN3O5/c1-3-34-25-15-21(11-14-24(25)36-17-20-9-12-22(28)13-10-20)16-29-31-27(33)19(2)30-26(32)18-35-23-7-5-4-6-8-23/h4-16,19H,3,17-18H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyYSXKIVRXXLCPNL-UHFFFAOYSA-N
XLogP3.84
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide 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

(2R)-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
CID 41009890
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
N-[[3-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3430151
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 92659154
(4R)-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96873720
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 45054791
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6872882
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide (CID 3963047) is N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide is CCOc1cc(C=NNC(=O)C(C)NC(=O)COc2ccccc2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is YSXKIVRXXLCPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O5/c1-3-34-25-15-21(11-14-24(25)36-17-20-9-12-22(28)13-10-20)16-29-31-27(33)19(2)30-26(32)18-35-23-7-5-4-6-8-23/h4-16,19H,3,17-18H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide?
N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 493.54 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 3963047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).