4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide

C20H24N2O2 — CID 109042975

IUPAC4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-13-21-19(23)15-9-11-16(12-10-15)20(24)22-18-8-6-5-7-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYBGHVLKNBGLONI-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.20
Rot. Bonds6

About 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide

4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109042975) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109042975
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-13-21-19(23)15-9-11-16(12-10-15)20(24)22-18-8-6-5-7-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYBGHVLKNBGLONI-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide (CID 109042975) is 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is YBGHVLKNBGLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-13-21-19(23)15-9-11-16(12-10-15)20(24)22-18-8-6-5-7-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide?
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109042975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).