1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide

C20H32N2O2 — CID 177180681

IUPAC1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCC(C)CC(C)(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-14(2)12-21-18(23)16-8-7-9-17(10-16)19(24)22-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyZJXINOJYYBIOIM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.87
Rot. Bonds7

About 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide

1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide (PubChem CID 177180681) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
PubChem CID177180681
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCC(C)CC(C)(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-14(2)12-21-18(23)16-8-7-9-17(10-16)19(24)22-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyZJXINOJYYBIOIM-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N,3-bis(2-methylpropyl)benzamide
CID 176945198
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
CID 134270761
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide (CID 177180681) is 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide is CC(C)CNC(=O)c1cccc(C(=O)NCC(C)CC(C)(C)C)c1.
What is the InChIKey of 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide?
The InChIKey is ZJXINOJYYBIOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)12-21-18(23)16-8-7-9-17(10-16)19(24)22-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide?
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 177180681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).