N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide

C23H25NO3 — CID 42931673

IUPACN-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)CNC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c1-16-9-10-17(2)21(13-16)18(3)14-24-23(25)22-19(11-12-26-22)15-27-20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,24,25)
InChIKeyPOXLBKPTOMNBOS-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.01
Rot. Bonds7

About N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 42931673) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID42931673
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)CNC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c1-16-9-10-17(2)21(13-16)18(3)14-24-23(25)22-19(11-12-26-22)15-27-20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,24,25)
InChIKeyPOXLBKPTOMNBOS-UHFFFAOYSA-N
XLogP5.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 42931673) is N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide is Cc1ccc(C)c(C(C)CNC(=O)c2occc2COc2ccccc2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is POXLBKPTOMNBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-9-10-17(2)21(13-16)18(3)14-24-23(25)22-19(11-12-26-22)15-27-20-7-5-4-6-8-20/h4-13,18H,14-15H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 42931673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).