N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C21H25N3O5 — CID 654839

IUPACN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H25N3O5/c1-27-18-13-17(23-21(26)15-6-4-3-5-7-15)19(28-2)12-16(18)22-20(25)14-24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySAPNDXAWFRWBHK-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.23
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 654839) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID654839
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H25N3O5/c1-27-18-13-17(23-21(26)15-6-4-3-5-7-15)19(28-2)12-16(18)22-20(25)14-24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySAPNDXAWFRWBHK-UHFFFAOYSA-N
XLogP2.23
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 654839) is N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is SAPNDXAWFRWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-27-18-13-17(23-21(26)15-6-4-3-5-7-15)19(28-2)12-16(18)22-20(25)14-24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 654839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).