N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide

C21H25N3O3 — CID 3647150

IUPACN-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-20-9-5-17(6-10-20)15-22-23-21(25)19-7-3-18(4-8-19)16-24-11-13-26-14-12-24/h3-10,15H,2,11-14,16H2,1H3,(H,23,25)
InChIKeyMHVXLHYIYQIMDZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds7

About N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide

N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 3647150) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID3647150
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-20-9-5-17(6-10-20)15-22-23-21(25)19-7-3-18(4-8-19)16-24-11-13-26-14-12-24/h3-10,15H,2,11-14,16H2,1H3,(H,23,25)
InChIKeyMHVXLHYIYQIMDZ-UHFFFAOYSA-N
XLogP2.68
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 22193734
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 17246516
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide (CID 3647150) is N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is CCOc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is MHVXLHYIYQIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-20-9-5-17(6-10-20)15-22-23-21(25)19-7-3-18(4-8-19)16-24-11-13-26-14-12-24/h3-10,15H,2,11-14,16H2,1H3,(H,23,25).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 3647150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).