N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide

C18H19N3O3 — CID 135932618

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17-7-1-14(2-8-17)13-19-20-18(23)15-3-5-16(6-4-15)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+
InChIKeyXAMMQNDTMUOGKS-CPNJWEJPSA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide (PubChem CID 135932618) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
PubChem CID135932618
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17-7-1-14(2-8-17)13-19-20-18(23)15-3-5-16(6-4-15)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+
InChIKeyXAMMQNDTMUOGKS-CPNJWEJPSA-N
XLogP1.99
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
3,4,5-triethoxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 41082821
N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 1350157
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide (CID 135932618) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide?
The InChIKey is XAMMQNDTMUOGKS-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17-7-1-14(2-8-17)13-19-20-18(23)15-3-5-16(6-4-15)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 135932618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).