4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C25H33N3O4 — CID 55396567

IUPAC4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4/c1-2-3-14-32-23-10-8-20(9-11-23)25(30)27-18-24(29)26-17-21-6-4-5-7-22(21)19-28-12-15-31-16-13-28/h4-11H,2-3,12-19H2,1H3,(H,26,29)(H,27,30)
InChIKeyKRMDMNHGLSXWQM-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.74
Rot. Bonds11

About 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 55396567) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID55396567
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4/c1-2-3-14-32-23-10-8-20(9-11-23)25(30)27-18-24(29)26-17-21-6-4-5-7-22(21)19-28-12-15-31-16-13-28/h4-11H,2-3,12-19H2,1H3,(H,26,29)(H,27,30)
InChIKeyKRMDMNHGLSXWQM-UHFFFAOYSA-N
XLogP2.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
CID 55848187
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24507691
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 55396567) is 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is KRMDMNHGLSXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-2-3-14-32-23-10-8-20(9-11-23)25(30)27-18-24(29)26-17-21-6-4-5-7-22(21)19-28-12-15-31-16-13-28/h4-11H,2-3,12-19H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55396567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).