6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate

C23H23N2O3- — CID 22081940

IUPAC6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate
SMILESCCCCCNC(=O)c1ccc2cc([O-])c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-2-3-7-12-24-22(27)17-11-10-16-15-21(26)20(14-18(16)13-17)23(28)25-19-8-5-4-6-9-19/h4-6,8-11,13-15,26H,2-3,7,12H2,1H3,(H,24,27)(H,25,28)/p-1
InChIKeyPHMWUSDRHRDJID-UHFFFAOYSA-M
MW375.45 g/mol
LogP4.09
Rot. Bonds7

About 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate

6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate (PubChem CID 22081940) has the molecular formula C23H23N2O3- and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate.

Molecular Properties

Compound Name6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate
PubChem CID22081940
Molecular FormulaC23H23N2O3-
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate
SMILESCCCCCNC(=O)c1ccc2cc([O-])c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-2-3-7-12-24-22(27)17-11-10-16-15-21(26)20(14-18(16)13-17)23(28)25-19-8-5-4-6-9-19/h4-6,8-11,13-15,26H,2-3,7,12H2,1H3,(H,24,27)(H,25,28)/p-1
InChIKeyPHMWUSDRHRDJID-UHFFFAOYSA-M
XLogP4.09
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-propylnaphthalene-2-carboxamide
CID 6624536
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208

Frequently Asked Questions

What is the IUPAC name of 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate?
The IUPAC name of 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate (CID 22081940) is 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate.
What is the SMILES notation for 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate?
The canonical SMILES for 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate is CCCCCNC(=O)c1ccc2cc([O-])c(C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate?
The InChIKey is PHMWUSDRHRDJID-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24N2O3/c1-2-3-7-12-24-22(27)17-11-10-16-15-21(26)20(14-18(16)13-17)23(28)25-19-8-5-4-6-9-19/h4-6,8-11,13-15,26H,2-3,7,12H2,1H3,(H,24,27)(H,25,28)/p-1.
What are the key properties of 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate?
6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate has a molecular weight of 375.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylcarbamoyl)-3-(phenylcarbamoyl)naphthalen-2-olate is sourced from PubChem (CID 22081940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).