N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

C24H25N3O3 — CID 8931002

IUPACN-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCCCCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)24(29)27-26-16-18-11-13-21(14-12-18)30-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-14,16H,2-3,15,17H2,1H3,(H,25,28)(H,27,29)/b26-16-
InChIKeyRMGSPZLDKWRUKA-QQXSKIMKSA-N
MW403.48 g/mol
LogP3.79
Rot. Bonds8

About N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (PubChem CID 8931002) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
PubChem CID8931002
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCCCCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)24(29)27-26-16-18-11-13-21(14-12-18)30-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-14,16H,2-3,15,17H2,1H3,(H,25,28)(H,27,29)/b26-16-
InChIKeyRMGSPZLDKWRUKA-QQXSKIMKSA-N
XLogP3.79
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931005
N-butyl-N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 40977078
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
CID 8931011
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
1-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56693861
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (CID 8931002) is N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is CCCCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is RMGSPZLDKWRUKA-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)24(29)27-26-16-18-11-13-21(14-12-18)30-17-20-9-6-8-19-7-4-5-10-22(19)20/h4-14,16H,2-3,15,17H2,1H3,(H,25,28)(H,27,29)/b26-16-.
What are the key properties of N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 403.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8931002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).