N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide

C21H21NO5 — CID 46406954

IUPACN-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
SMILESCc1cccc(OCC(O)COc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C21H21NO5/c1-15-4-2-5-19(12-15)27-14-17(23)13-26-18-9-7-16(8-10-18)22-21(24)20-6-3-11-25-20/h2-12,17,23H,13-14H2,1H3,(H,22,24)
InChIKeyCWKVJPHTTLZWAS-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.66
Rot. Bonds8

About N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide

N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide (PubChem CID 46406954) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
PubChem CID46406954
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
SMILESCc1cccc(OCC(O)COc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C21H21NO5/c1-15-4-2-5-19(12-15)27-14-17(23)13-26-18-9-7-16(8-10-18)22-21(24)20-6-3-11-25-20/h2-12,17,23H,13-14H2,1H3,(H,22,24)
InChIKeyCWKVJPHTTLZWAS-UHFFFAOYSA-N
XLogP3.66
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 34531403
N-[4-[3-(2,6-dichlorophenoxy)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
CID 167777956
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide (CID 46406954) is N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide is Cc1cccc(OCC(O)COc2ccc(NC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide?
The InChIKey is CWKVJPHTTLZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-15-4-2-5-19(12-15)27-14-17(23)13-26-18-9-7-16(8-10-18)22-21(24)20-6-3-11-25-20/h2-12,17,23H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide?
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46406954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).