3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C22H28N2O2 — CID 109056374

IUPAC3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-5-6-14-24(4)22(26)19-9-7-8-18(15-19)21(25)23-20-12-10-17(11-13-20)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyHVNHTPMXGLXEKA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.93
Rot. Bonds7

About 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide

3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056374) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056374
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-5-6-14-24(4)22(26)19-9-7-8-18(15-19)21(25)23-20-12-10-17(11-13-20)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyHVNHTPMXGLXEKA-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-3-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109051156
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109056374) is 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is HVNHTPMXGLXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-6-14-24(4)22(26)19-9-7-8-18(15-19)21(25)23-20-12-10-17(11-13-20)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).