N-butyl-3-(furan-2-yl)benzamide;propane

C18H25NO2 — CID 159057604

IUPACN-butyl-3-(furan-2-yl)benzamide;propane
SMILESCCC.CCCCNC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C15H17NO2.C3H8/c1-2-3-9-16-15(17)13-7-4-6-12(11-13)14-8-5-10-18-14;1-3-2/h4-8,10-11H,2-3,9H2,1H3,(H,16,17);3H2,1-2H3
InChIKeyJYBCHOSFIYURPK-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.89
Rot. Bonds5

About N-butyl-3-(furan-2-yl)benzamide;propane

N-butyl-3-(furan-2-yl)benzamide;propane (PubChem CID 159057604) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-butyl-3-(furan-2-yl)benzamide;propane.

Molecular Properties

Compound NameN-butyl-3-(furan-2-yl)benzamide;propane
PubChem CID159057604
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-butyl-3-(furan-2-yl)benzamide;propane
SMILESCCC.CCCCNC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C15H17NO2.C3H8/c1-2-3-9-16-15(17)13-7-4-6-12(11-13)14-8-5-10-18-14;1-3-2/h4-8,10-11H,2-3,9H2,1H3,(H,16,17);3H2,1-2H3
InChIKeyJYBCHOSFIYURPK-UHFFFAOYSA-N
XLogP4.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.89
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

3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 168526489
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-(furan-2-yl)benzoate
CID 7023055
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
N-butyl-4-phenylbenzamide
CID 3637649
3-hydroxy-N-octylbenzamide
CID 115568584
3-bromo-N-dodecylbenzamide
CID 603918
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
3-methoxy-N-tridecylbenzamide
CID 139819898
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-yl)benzamide;propane?
The IUPAC name of N-butyl-3-(furan-2-yl)benzamide;propane (CID 159057604) is N-butyl-3-(furan-2-yl)benzamide;propane.
What is the SMILES notation for N-butyl-3-(furan-2-yl)benzamide;propane?
The canonical SMILES for N-butyl-3-(furan-2-yl)benzamide;propane is CCC.CCCCNC(=O)c1cccc(-c2ccco2)c1.
What is the InChIKey of N-butyl-3-(furan-2-yl)benzamide;propane?
The InChIKey is JYBCHOSFIYURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C3H8/c1-2-3-9-16-15(17)13-7-4-6-12(11-13)14-8-5-10-18-14;1-3-2/h4-8,10-11H,2-3,9H2,1H3,(H,16,17);3H2,1-2H3.
What are the key properties of N-butyl-3-(furan-2-yl)benzamide;propane?
N-butyl-3-(furan-2-yl)benzamide;propane has a molecular weight of 287.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-yl)benzamide;propane is sourced from PubChem (CID 159057604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).