N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide

C14H23NO3 — CID 111971968

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H23NO3/c1-10(2)8-14(3,4)13(17)15-9-11(16)12-6-5-7-18-12/h5-7,10-11,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyCMFGNWSOQSCPLD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide (PubChem CID 111971968) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
PubChem CID111971968
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H23NO3/c1-10(2)8-14(3,4)13(17)15-9-11(16)12-6-5-7-18-12/h5-7,10-11,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyCMFGNWSOQSCPLD-UHFFFAOYSA-N
XLogP2.50
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Furanmethanol, alpha-(aminomethyl)-
CID 2756441
N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acid
CID 44778
1-Amino-2-(furan-2-yl)propan-2-ol
CID 54595271
2-Amino-1-(5-methylfuran-2-yl)ethan-1-ol
CID 16768177
Rac-1-(2-furyl)-2-(methylamino)ethanol
CID 11320981
2,6-difluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 49670515
tert-butyl N-[(1R,2S)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 53315650
2-(4-Fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
N1-(2-(furan-2-yl)-2-hydroxypropyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71782606
(R)-2-Amino-1-(furan-2-YL)-ethanol
CID 7016265
N-tert-butyl-2-(furan-2-yl)-2-hydroxyacetamide
CID 11424146
2-(Benzylamino)-1-(furan-2-yl)ethan-1-ol
CID 60752365

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide (CID 111971968) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide is CC(C)CC(C)(C)C(=O)NCC(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide?
The InChIKey is CMFGNWSOQSCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)8-14(3,4)13(17)15-9-11(16)12-6-5-7-18-12/h5-7,10-11,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide has a molecular weight of 253.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide is sourced from PubChem (CID 111971968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).