N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide

C26H28N2O4 — CID 5158014

IUPACN-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCCCOc1cccc(C)c1C
InChIInChI=1S/C26H28N2O4/c1-19-9-7-12-23(20(19)2)31-15-8-16-32-24-14-13-21(17-25(24)30-3)18-27-28-26(29)22-10-5-4-6-11-22/h4-7,9-14,17-18H,8,15-16H2,1-3H3,(H,28,29)
InChIKeyJWVMZDSPACXIDM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.92
Rot. Bonds10

About N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide

N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide (PubChem CID 5158014) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
PubChem CID5158014
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCCCOc1cccc(C)c1C
InChIInChI=1S/C26H28N2O4/c1-19-9-7-12-23(20(19)2)31-15-8-16-32-24-14-13-21(17-25(24)30-3)18-27-28-26(29)22-10-5-4-6-11-22/h4-7,9-14,17-18H,8,15-16H2,1-3H3,(H,28,29)
InChIKeyJWVMZDSPACXIDM-UHFFFAOYSA-N
XLogP4.92
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
1-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 4264464
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 7037969
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 3666073
4-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide (CID 5158014) is N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccccc2)ccc1OCCCOc1cccc(C)c1C.
What is the InChIKey of N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The InChIKey is JWVMZDSPACXIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-19-9-7-12-23(20(19)2)31-15-8-16-32-24-14-13-21(17-25(24)30-3)18-27-28-26(29)22-10-5-4-6-11-22/h4-7,9-14,17-18H,8,15-16H2,1-3H3,(H,28,29).
What are the key properties of N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide?
N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 5158014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).