2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide

C20H24N2O2 — CID 164886020

IUPAC2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
SMILESCCCCCNC(=O)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-3-9-14-21-19(23)17-12-7-8-13-18(17)20(24)22-15-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDOSDZIITUFFGMD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.54
Rot. Bonds8

About 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide

2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide (PubChem CID 164886020) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
PubChem CID164886020
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
SMILESCCCCCNC(=O)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-3-9-14-21-19(23)17-12-7-8-13-18(17)20(24)22-15-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDOSDZIITUFFGMD-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.54
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-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(pentylcarbamoyl)benzoate
CID 7429981
2-(benzylamino)-N-butylbenzamide
CID 86102037
butyl 2-(benzylcarbamoyl)benzoate
CID 2306166
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide (CID 164886020) is 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide is CCCCCNC(=O)c1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide?
The InChIKey is DOSDZIITUFFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-9-14-21-19(23)17-12-7-8-13-18(17)20(24)22-15-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide?
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 164886020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).