N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide

C18H23NO3 — CID 28665965

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
SMILESCc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1
InChIInChI=1S/C18H23NO3/c1-12(2)4-9-18(21)19-14-5-7-16(13(3)10-14)17-8-6-15(11-20)22-17/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyKNYKINLNILHQTO-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.12
Rot. Bonds6

About N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide (PubChem CID 28665965) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
PubChem CID28665965
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
SMILESCc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1
InChIInChI=1S/C18H23NO3/c1-12(2)4-9-18(21)19-14-5-7-16(13(3)10-14)17-8-6-15(11-20)22-17/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyKNYKINLNILHQTO-UHFFFAOYSA-N
XLogP4.12
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylpentanamide
CID 28686777
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
CID 28677651
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469
(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
CID 28677993
4-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]carbamothioyl]benzamide
CID 28687213
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoate
CID 6953179
5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
CID 28670575
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide (CID 28665965) is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide is Cc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide?
The InChIKey is KNYKINLNILHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12(2)4-9-18(21)19-14-5-7-16(13(3)10-14)17-8-6-15(11-20)22-17/h5-8,10,12,20H,4,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide has a molecular weight of 301.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide is sourced from PubChem (CID 28665965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).