N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

C24H28N4O5 — CID 3418845

IUPACN'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O5/c1-2-3-14-33-19-10-8-18(9-11-19)17-25-27-23(30)22(29)26-21-7-5-4-6-20(21)24(31)28-12-15-32-16-13-28/h4-11,17H,2-3,12-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyYLTGFUFXTBICMU-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.43
Rot. Bonds8

About N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (PubChem CID 3418845) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
PubChem CID3418845
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O5/c1-2-3-14-33-19-10-8-18(9-11-19)17-25-27-23(30)22(29)26-21-7-5-4-6-20(21)24(31)28-12-15-32-16-13-28/h4-11,17H,2-3,12-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyYLTGFUFXTBICMU-UHFFFAOYSA-N
XLogP2.43
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.43
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-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690328
methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 6106405
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690284
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
N'-[(2-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 4559649
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6018951
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 5171028
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126261219

Frequently Asked Questions

What is the IUPAC name of N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The IUPAC name of N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (CID 3418845) is N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.
What is the SMILES notation for N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The canonical SMILES for N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The InChIKey is YLTGFUFXTBICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-2-3-14-33-19-10-8-18(9-11-19)17-25-27-23(30)22(29)26-21-7-5-4-6-20(21)24(31)28-12-15-32-16-13-28/h4-11,17H,2-3,12-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide has a molecular weight of 452.51 g/mol, XLogP of 2.43, 8 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-(morpholine-4-carbonyl)phenyl]oxamide is sourced from PubChem (CID 3418845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).