N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide

C22H29NO4 — CID 118772076

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)N(C)CC3(CO)CCOCC3)o2)cc1
InChIInChI=1S/C22H29NO4/c1-17-3-5-18(6-4-17)20-9-7-19(27-20)8-10-21(25)23(2)15-22(16-24)11-13-26-14-12-22/h3-7,9,24H,8,10-16H2,1-2H3
InChIKeyBBAFIJRDAJPQHY-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.44
Rot. Bonds7

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide (PubChem CID 118772076) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide
PubChem CID118772076
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)N(C)CC3(CO)CCOCC3)o2)cc1
InChIInChI=1S/C22H29NO4/c1-17-3-5-18(6-4-17)20-9-7-19(27-20)8-10-21(25)23(2)15-22(16-24)11-13-26-14-12-22/h3-7,9,24H,8,10-16H2,1-2H3
InChIKeyBBAFIJRDAJPQHY-UHFFFAOYSA-N
XLogP3.44
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide (CID 118772076) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide is Cc1ccc(-c2ccc(CCC(=O)N(C)CC3(CO)CCOCC3)o2)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The InChIKey is BBAFIJRDAJPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-17-3-5-18(6-4-17)20-9-7-19(27-20)8-10-21(25)23(2)15-22(16-24)11-13-26-14-12-22/h3-7,9,24H,8,10-16H2,1-2H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 118772076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).