N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide

C19H24N2O3 — CID 54789414

IUPACN-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-8-18(22)21-16-11-9-15(10-12-16)19(23)20-14-17-7-6-13-24-17/h6-7,9-13H,2-5,8,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyJSWMZDWAJJWZKB-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.12
Rot. Bonds9

About N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide

N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide (PubChem CID 54789414) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
PubChem CID54789414
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-8-18(22)21-16-11-9-15(10-12-16)19(23)20-14-17-7-6-13-24-17/h6-7,9-13H,2-5,8,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyJSWMZDWAJJWZKB-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.12
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-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-(furan-2-ylmethyl)-4-(propanoylcarbamothioylamino)benzamide
CID 28638533
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide (CID 54789414) is N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide is CCCCCCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide?
The InChIKey is JSWMZDWAJJWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-3-4-5-8-18(22)21-16-11-9-15(10-12-16)19(23)20-14-17-7-6-13-24-17/h6-7,9-13H,2-5,8,14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide?
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide has a molecular weight of 328.41 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide is sourced from PubChem (CID 54789414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).