N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide

C19H25NO2 — CID 86950294

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
SMILESCc1cc(CNC(=O)CC(c2ccccc2)C(C)C)c(C)o1
InChIInChI=1S/C19H25NO2/c1-13(2)18(16-8-6-5-7-9-16)11-19(21)20-12-17-10-14(3)22-15(17)4/h5-10,13,18H,11-12H2,1-4H3,(H,20,21)
InChIKeyIWAHKMYWINAWBQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.34
Rot. Bonds6

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide

N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide (PubChem CID 86950294) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
PubChem CID86950294
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
SMILESCc1cc(CNC(=O)CC(c2ccccc2)C(C)C)c(C)o1
InChIInChI=1S/C19H25NO2/c1-13(2)18(16-8-6-5-7-9-16)11-19(21)20-12-17-10-14(3)22-15(17)4/h5-10,13,18H,11-12H2,1-4H3,(H,20,21)
InChIKeyIWAHKMYWINAWBQ-UHFFFAOYSA-N
XLogP4.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86952267
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
(3R)-5-[(2,5-dimethylfuran-3-yl)methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97104963
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86952615
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538738
(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
CID 124850886
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide (CID 86950294) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide is Cc1cc(CNC(=O)CC(c2ccccc2)C(C)C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide?
The InChIKey is IWAHKMYWINAWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(2)18(16-8-6-5-7-9-16)11-19(21)20-12-17-10-14(3)22-15(17)4/h5-10,13,18H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide has a molecular weight of 299.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 86950294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).