1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

C28H34N2O2 — CID 2827367

IUPAC1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-3-5-11-20-30(21-12-6-4-2)28(32)25-18-10-9-17-24(25)27(31)29-26-19-13-15-22-14-7-8-16-23(22)26/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3,(H,29,31)
InChIKeyKMHUVHFOXFAQMY-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.91
Rot. Bonds11

About 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (PubChem CID 2827367) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
PubChem CID2827367
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-3-5-11-20-30(21-12-6-4-2)28(32)25-18-10-9-17-24(25)27(31)29-26-19-13-15-22-14-7-8-16-23(22)26/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3,(H,29,31)
InChIKeyKMHUVHFOXFAQMY-UHFFFAOYSA-N
XLogP6.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.91
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-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827356
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2-methyl-N,N-dipentylbenzamide
CID 4576290
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
N-naphthalen-1-yldodecanamide
CID 588517
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N,N-diethyl-2-(naphthalen-1-ylamino)benzamide
CID 86200085
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-naphthalen-1-yl-1,1-dioctylhydrazine
CID 175148627
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (CID 2827367) is 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The InChIKey is KMHUVHFOXFAQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-5-11-20-30(21-12-6-4-2)28(32)25-18-10-9-17-24(25)27(31)29-26-19-13-15-22-14-7-8-16-23(22)26/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3,(H,29,31).
What are the key properties of 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide has a molecular weight of 430.59 g/mol, XLogP of 6.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 2827367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).