N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide

C23H25NO5 — CID 34531403

IUPACN-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)c1C
InChIInChI=1S/C23H25NO5/c1-15-6-7-16(2)22(17(15)3)29-14-19(25)13-28-20-10-8-18(9-11-20)24-23(26)21-5-4-12-27-21/h4-12,19,25H,13-14H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKeyRSRNBOJTJBAWFX-IBGZPJMESA-N
MW395.46 g/mol
LogP4.28
Rot. Bonds8

About N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide

N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide (PubChem CID 34531403) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
PubChem CID34531403
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)c1C
InChIInChI=1S/C23H25NO5/c1-15-6-7-16(2)22(17(15)3)29-14-19(25)13-28-20-10-8-18(9-11-20)24-23(26)21-5-4-12-27-21/h4-12,19,25H,13-14H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKeyRSRNBOJTJBAWFX-IBGZPJMESA-N
XLogP4.28
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
CID 167777956
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 46406954
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide (CID 34531403) is N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide is Cc1ccc(C)c(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)c1C.
What is the InChIKey of N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The InChIKey is RSRNBOJTJBAWFX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO5/c1-15-6-7-16(2)22(17(15)3)29-14-19(25)13-28-20-10-8-18(9-11-20)24-23(26)21-5-4-12-27-21/h4-12,19,25H,13-14H2,1-3H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide?
N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 34531403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).