N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide

C13H21NO3 — CID 111482352

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C13H21NO3/c1-4-6-10(2)12(15)14-9-13(3,16)11-7-5-8-17-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyHBNDLESRFUOIJR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide (PubChem CID 111482352) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
PubChem CID111482352
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C13H21NO3/c1-4-6-10(2)12(15)14-9-13(3,16)11-7-5-8-17-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyHBNDLESRFUOIJR-UHFFFAOYSA-N
XLogP2.04
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide
CID 111482302
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide (CID 111482352) is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide is CCCC(C)C(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide?
The InChIKey is HBNDLESRFUOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-6-10(2)12(15)14-9-13(3,16)11-7-5-8-17-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide has a molecular weight of 239.31 g/mol, XLogP of 2.04, 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-hydroxypropyl]-2-methylpentanamide is sourced from PubChem (CID 111482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).