N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide

C24H25N3O3 — CID 8902463

IUPACN'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1c(OCc2ccc(C)cc2)ccc2ccccc12
InChIInChI=1S/C24H25N3O3/c1-3-14-25-23(28)24(29)27-26-15-21-20-7-5-4-6-19(20)12-13-22(21)30-16-18-10-8-17(2)9-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,25,28)(H,27,29)/b26-15-
InChIKeyKYCDENMXKPDMNE-YSMPRRRNSA-N
MW403.48 g/mol
LogP3.70
Rot. Bonds7

About N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide

N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide (PubChem CID 8902463) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
PubChem CID8902463
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1c(OCc2ccc(C)cc2)ccc2ccccc12
InChIInChI=1S/C24H25N3O3/c1-3-14-25-23(28)24(29)27-26-15-21-20-7-5-4-6-19(20)12-13-22(21)30-16-18-10-8-17(2)9-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,25,28)(H,27,29)/b26-15-
InChIKeyKYCDENMXKPDMNE-YSMPRRRNSA-N
XLogP3.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126207158
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
CID 8902643
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 25251113
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
[1-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 6287750

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide (CID 8902463) is N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1c(OCc2ccc(C)cc2)ccc2ccccc12.
What is the InChIKey of N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide?
The InChIKey is KYCDENMXKPDMNE-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-14-25-23(28)24(29)27-26-15-21-20-7-5-4-6-19(20)12-13-22(21)30-16-18-10-8-17(2)9-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,25,28)(H,27,29)/b26-15-.
What are the key properties of N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide?
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide has a molecular weight of 403.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide is sourced from PubChem (CID 8902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).