N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide

C22H27N3O3 — CID 5455254

IUPACN-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-21(23-24-22(26)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-17-14-25-12-15-27-16-13-25/h3-11H,2,12-17H2,1H3,(H,24,26)/b23-21-
InChIKeyJPJLIKYMMVYIAH-LNVKXUELSA-N
MW381.48 g/mol
LogP2.94
Rot. Bonds8

About N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide

N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide (PubChem CID 5455254) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
PubChem CID5455254
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-21(23-24-22(26)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-17-14-25-12-15-27-16-13-25/h3-11H,2,12-17H2,1H3,(H,24,26)/b23-21-
InChIKeyJPJLIKYMMVYIAH-LNVKXUELSA-N
XLogP2.94
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.94
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

1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide
CID 162658904
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide (CID 5455254) is N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide is CC/C(=N/NC(=O)c1ccccc1)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide?
The InChIKey is JPJLIKYMMVYIAH-LNVKXUELSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-21(23-24-22(26)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28-17-14-25-12-15-27-16-13-25/h3-11H,2,12-17H2,1H3,(H,24,26)/b23-21-.
What are the key properties of N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide?
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide is sourced from PubChem (CID 5455254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).