1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide

C18H20N2O2 — CID 13492483

IUPAC1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
SMILESCCCCNC(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-3-13-19-17(21)15-11-7-8-12-16(15)18(22)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCJNQSJQANJNQPB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.47
Rot. Bonds6

About 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide

1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide (PubChem CID 13492483) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
PubChem CID13492483
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
SMILESCCCCNC(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-3-13-19-17(21)15-11-7-8-12-16(15)18(22)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCJNQSJQANJNQPB-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-butyl-N'-phenyloxamide
CID 2290889
2-butyl-N-phenylbenzamide
CID 3695058
N-butyl-2-phenylbenzamide
CID 21064565
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-(pentylcarbamoyl)benzoate
CID 7429981
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide (CID 13492483) is 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide is CCCCNC(=O)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide?
The InChIKey is CJNQSJQANJNQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-3-13-19-17(21)15-11-7-8-12-16(15)18(22)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide?
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 13492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).