N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide

C19H24N2O3 — CID 108509295

IUPACN'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H24N2O3/c1-3-5-13-21(12-4-2)19(24)18(23)20-16-10-6-9-15-14(16)8-7-11-17(15)22/h6-11,22H,3-5,12-13H2,1-2H3,(H,20,23)
InChIKeyLXUQSKXNVPXTKY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.52
Rot. Bonds6

About N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide

N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide (PubChem CID 108509295) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
PubChem CID108509295
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H24N2O3/c1-3-5-13-21(12-4-2)19(24)18(23)20-16-10-6-9-15-14(16)8-7-11-17(15)22/h6-11,22H,3-5,12-13H2,1-2H3,(H,20,23)
InChIKeyLXUQSKXNVPXTKY-UHFFFAOYSA-N
XLogP3.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
CID 108519738
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide (CID 108509295) is N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide?
The InChIKey is LXUQSKXNVPXTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-5-13-21(12-4-2)19(24)18(23)20-16-10-6-9-15-14(16)8-7-11-17(15)22/h6-11,22H,3-5,12-13H2,1-2H3,(H,20,23).
What are the key properties of N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide?
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide has a molecular weight of 328.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide is sourced from PubChem (CID 108509295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).