N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide

C28H25IN2O5 — CID 126388643

IUPACN-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1
InChIInChI=1S/C28H25IN2O5/c1-33-21-11-12-23(25(15-21)34-2)28(32)31-30-16-18-13-24(29)27(26(14-18)35-3)36-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-16H,17H2,1-3H3,(H,31,32)/b30-16-
InChIKeyZKSHJRQZEKKEPL-UHBFCERESA-N
MW596.42 g/mol
LogP5.81
Rot. Bonds9

About N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide

N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 126388643) has the molecular formula C28H25IN2O5 and a molecular weight of 596.42 g/mol. Its IUPAC name is N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
PubChem CID126388643
Molecular FormulaC28H25IN2O5
Molecular Weight596.42 g/mol
Exact Mass596.08
IUPAC NameN-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1
InChIInChI=1S/C28H25IN2O5/c1-33-21-11-12-23(25(15-21)34-2)28(32)31-30-16-18-13-24(29)27(26(14-18)35-3)36-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-16H,17H2,1-3H3,(H,31,32)/b30-16-
InChIKeyZKSHJRQZEKKEPL-UHBFCERESA-N
XLogP5.81
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388440
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533288
N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4099852
2-(4-bromophenyl)-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 99665428
3-ethoxy-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126317583
2-(4-bromoanilino)-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126361542
5,7-dibromo-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21375541
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6281145
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378497
N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6011240

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide (CID 126388643) is N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1.
What is the InChIKey of N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is ZKSHJRQZEKKEPL-UHBFCERESA-N. The full InChI is InChI=1S/C28H25IN2O5/c1-33-21-11-12-23(25(15-21)34-2)28(32)31-30-16-18-13-24(29)27(26(14-18)35-3)36-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-16H,17H2,1-3H3,(H,31,32)/b30-16-.
What are the key properties of N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide?
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 596.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 126388643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).