3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

C21H23N3O4 — CID 109053089

IUPAC3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFGCMYVNVSVMJID-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.81
Rot. Bonds6

About 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109053089) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109053089
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFGCMYVNVSVMJID-UHFFFAOYSA-N
XLogP2.81
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109053089) is 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is FGCMYVNVSVMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).