1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea

C24H23IN4O5 — CID 3903034

IUPAC1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1cc(C=NNC(=O)Nc2ccccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H23IN4O5/c1-3-33-22-13-18(14-26-28-24(30)27-21-10-5-4-7-16(21)2)12-20(25)23(22)34-15-17-8-6-9-19(11-17)29(31)32/h4-14H,3,15H2,1-2H3,(H2,27,28,30)
InChIKeyLFQPIAYYBCAODE-UHFFFAOYSA-N
MW574.38 g/mol
LogP5.64
Rot. Bonds9

About 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea

1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 3903034) has the molecular formula C24H23IN4O5 and a molecular weight of 574.38 g/mol. Its IUPAC name is 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
PubChem CID3903034
Molecular FormulaC24H23IN4O5
Molecular Weight574.38 g/mol
Exact Mass574.07
IUPAC Name1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1cc(C=NNC(=O)Nc2ccccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H23IN4O5/c1-3-33-22-13-18(14-26-28-24(30)27-21-10-5-4-7-16(21)2)12-20(25)23(22)34-15-17-8-6-9-19(11-17)29(31)32/h4-14H,3,15H2,1-2H3,(H2,27,28,30)
InChIKeyLFQPIAYYBCAODE-UHFFFAOYSA-N
XLogP5.64
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.38
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea 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

1-[[3-iodo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5032044
1-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 4590748
1-[[4-[(3-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5222032
1-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136781953
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049
N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 4537992
methyl 2-[2,6-diiodo-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetate
CID 3922281
1-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3988071
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 126390873
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3407013
1-(2-methylphenyl)-3-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 4546074
(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126155865

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea (CID 3903034) is 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea is CCOc1cc(C=NNC(=O)Nc2ccccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is LFQPIAYYBCAODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23IN4O5/c1-3-33-22-13-18(14-26-28-24(30)27-21-10-5-4-7-16(21)2)12-20(25)23(22)34-15-17-8-6-9-19(11-17)29(31)32/h4-14H,3,15H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea?
1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 574.38 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 3903034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).