3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide

C22H25N3O4 — CID 109053343

IUPAC3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H25N3O4/c1-16(26)17-4-3-7-20(15-17)24-22(28)19-6-2-5-18(14-19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,23,27)(H,24,28)
InChIKeySIOLGWWYNYZVOV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.20
Rot. Bonds7

About 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide

3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109053343) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109053343
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H25N3O4/c1-16(26)17-4-3-7-20(15-17)24-22(28)19-6-2-5-18(14-19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,23,27)(H,24,28)
InChIKeySIOLGWWYNYZVOV-UHFFFAOYSA-N
XLogP2.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104239
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 53319324

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109053343) is 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is SIOLGWWYNYZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(26)17-4-3-7-20(15-17)24-22(28)19-6-2-5-18(14-19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).