N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide

C15H20N4O5 — CID 6368334

IUPACN'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O5/c1-23-8-2-7-17-14(21)15(22)19-18-9-11-3-5-12(6-4-11)24-10-13(16)20/h3-6,9H,2,7-8,10H2,1H3,(H2,16,20)(H,17,21)(H,19,22)/b18-9-
InChIKeyVCKAFEPJFDXHPT-NVMNQCDNSA-N
MW336.35 g/mol
LogP-0.85
Rot. Bonds9

About N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide

N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide (PubChem CID 6368334) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
PubChem CID6368334
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O5/c1-23-8-2-7-17-14(21)15(22)19-18-9-11-3-5-12(6-4-11)24-10-13(16)20/h3-6,9H,2,7-8,10H2,1H3,(H2,16,20)(H,17,21)(H,19,22)/b18-9-
InChIKeyVCKAFEPJFDXHPT-NVMNQCDNSA-N
XLogP-0.85
TPSA132.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-methoxypropyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide
CID 46741726
4-[[4-[(Z)-[[2-(3-methoxypropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 8989446
N-(3-methoxypropyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 21212746
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 40558004
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N'-[(Z)-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126175219
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 8990255
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
N'-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 137022001
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 135756952
N'-[(Z)-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126158751
N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832328

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide (CID 6368334) is N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The InChIKey is VCKAFEPJFDXHPT-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-23-8-2-7-17-14(21)15(22)19-18-9-11-3-5-12(6-4-11)24-10-13(16)20/h3-6,9H,2,7-8,10H2,1H3,(H2,16,20)(H,17,21)(H,19,22)/b18-9-.
What are the key properties of N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide has a molecular weight of 336.35 g/mol, XLogP of -0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 6368334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).