1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

C25H34N2O2 — CID 2827356

IUPAC1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H34N2O2/c1-4-6-10-17-27(18-11-7-5-2)25(29)23-16-9-8-15-22(23)24(28)26-21-14-12-13-20(3)19-21/h8-9,12-16,19H,4-7,10-11,17-18H2,1-3H3,(H,26,28)
InChIKeyNTTTYIQZEJEBOM-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.07
Rot. Bonds11

About 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (PubChem CID 2827356) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
PubChem CID2827356
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H34N2O2/c1-4-6-10-17-27(18-11-7-5-2)25(29)23-16-9-8-15-22(23)24(28)26-21-14-12-13-20(3)19-21/h8-9,12-16,19H,4-7,10-11,17-18H2,1-3H3,(H,26,28)
InChIKeyNTTTYIQZEJEBOM-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827367
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
2-methyl-N,N-dipentylbenzamide
CID 4576290
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
3-benzamido-N,N-dibutylbenzamide
CID 4270775
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
3-methyl-N,N-di(undecyl)benzamide
CID 533252
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (CID 2827356) is 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The InChIKey is NTTTYIQZEJEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-6-10-17-27(18-11-7-5-2)25(29)23-16-9-8-15-22(23)24(28)26-21-14-12-13-20(3)19-21/h8-9,12-16,19H,4-7,10-11,17-18H2,1-3H3,(H,26,28).
What are the key properties of 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide has a molecular weight of 394.56 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 2827356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).