N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

C24H25N3O3 — CID 8931005

IUPACN-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-3-17(2)26-23(28)24(29)27-25-15-18-11-13-21(14-12-18)30-16-20-9-6-8-19-7-4-5-10-22(19)20/h4-15,17H,3,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-/t17-/m1/s1
InChIKeyRZKHRIKVSYXLHW-WZJLVRHISA-N
MW403.48 g/mol
LogP3.78
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (PubChem CID 8931005) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
PubChem CID8931005
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-3-17(2)26-23(28)24(29)27-25-15-18-11-13-21(14-12-18)30-16-20-9-6-8-19-7-4-5-10-22(19)20/h4-15,17H,3,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-/t17-/m1/s1
InChIKeyRZKHRIKVSYXLHW-WZJLVRHISA-N
XLogP3.78
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 ≤ 53.78
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-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
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
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
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N-[(2S)-butan-2-yl]-N'-[(Z)-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126265726
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanamide
CID 98123921
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (CID 8931005) is N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is CC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is RZKHRIKVSYXLHW-WZJLVRHISA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-17(2)26-23(28)24(29)27-25-15-18-11-13-21(14-12-18)30-16-20-9-6-8-19-7-4-5-10-22(19)20/h4-15,17H,3,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-/t17-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 403.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8931005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).