N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide

C18H21NO3 — CID 47071137

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccccc1C1(CNC(=O)c2ccco2)CCOCC1
InChIInChI=1S/C18H21NO3/c1-14-5-2-3-6-15(14)18(8-11-21-12-9-18)13-19-17(20)16-7-4-10-22-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,20)
InChIKeyGXZDWGYKAFGFBJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.07
Rot. Bonds4

About N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide (PubChem CID 47071137) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
PubChem CID47071137
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccccc1C1(CNC(=O)c2ccco2)CCOCC1
InChIInChI=1S/C18H21NO3/c1-14-5-2-3-6-15(14)18(8-11-21-12-9-18)13-19-17(20)16-7-4-10-22-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,20)
InChIKeyGXZDWGYKAFGFBJ-UHFFFAOYSA-N
XLogP3.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-iodo-4-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528468
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide
CID 129000644
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide (CID 47071137) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide is Cc1ccccc1C1(CNC(=O)c2ccco2)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The InChIKey is GXZDWGYKAFGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-5-2-3-6-15(14)18(8-11-21-12-9-18)13-19-17(20)16-7-4-10-22-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,20).
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 47071137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).