N-(furan-2-ylmethyl)-4-heptoxybenzamide

C19H25NO3 — CID 3131904

IUPACN-(furan-2-ylmethyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-13-22-17-11-9-16(10-12-17)19(21)20-15-18-8-7-14-23-18/h7-12,14H,2-6,13,15H2,1H3,(H,20,21)
InChIKeyZHSYZAZPTPZFRR-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.56
Rot. Bonds10

About N-(furan-2-ylmethyl)-4-heptoxybenzamide

N-(furan-2-ylmethyl)-4-heptoxybenzamide (PubChem CID 3131904) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-heptoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-heptoxybenzamide
PubChem CID3131904
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-(furan-2-ylmethyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-13-22-17-11-9-16(10-12-17)19(21)20-15-18-8-7-14-23-18/h7-12,14H,2-6,13,15H2,1H3,(H,20,21)
InChIKeyZHSYZAZPTPZFRR-UHFFFAOYSA-N
XLogP4.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
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-ylmethylcarbamothioyl)-4-hexoxybenzamide
CID 4934073
N-(furan-2-ylmethylcarbamothioyl)-4-heptoxybenzamide
CID 4950958
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
hexyl N-(furan-2-ylmethyl)carbamate
CID 67843167
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-heptoxybenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-heptoxybenzamide (CID 3131904) is N-(furan-2-ylmethyl)-4-heptoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-heptoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-heptoxybenzamide?
The InChIKey is ZHSYZAZPTPZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-13-22-17-11-9-16(10-12-17)19(21)20-15-18-8-7-14-23-18/h7-12,14H,2-6,13,15H2,1H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-4-heptoxybenzamide?
N-(furan-2-ylmethyl)-4-heptoxybenzamide has a molecular weight of 315.41 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-heptoxybenzamide is sourced from PubChem (CID 3131904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).