N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide

C19H28N4O4 — CID 5171028

IUPACN'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCCCOc1ccc(C=NNC(=O)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O4/c1-2-3-12-27-17-6-4-16(5-7-17)15-21-22-19(25)18(24)20-8-9-23-10-13-26-14-11-23/h4-7,15H,2-3,8-14H2,1H3,(H,20,24)(H,22,25)
InChIKeyAZANOMJYAQEYQW-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.76
Rot. Bonds9

About N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 5171028) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID5171028
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCCCOc1ccc(C=NNC(=O)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O4/c1-2-3-12-27-17-6-4-16(5-7-17)15-21-22-19(25)18(24)20-8-9-23-10-13-26-14-11-23/h4-7,15H,2-3,8-14H2,1H3,(H,20,24)(H,22,25)
InChIKeyAZANOMJYAQEYQW-UHFFFAOYSA-N
XLogP0.76
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
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'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 94848692
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
CID 168533014
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
1-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 9216862
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329

Frequently Asked Questions

What is the IUPAC name of N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide (CID 5171028) is N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide is CCCCOc1ccc(C=NNC(=O)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is AZANOMJYAQEYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-2-3-12-27-17-6-4-16(5-7-17)15-21-22-19(25)18(24)20-8-9-23-10-13-26-14-11-23/h4-7,15H,2-3,8-14H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 376.46 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 5171028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).