N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide

C12H19NO3 — CID 61247341

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H19NO3/c1-8(2)6-10(7-14)13-12(15)11-9(3)4-5-16-11/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyPRDXGSFJKZZXEA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.72
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide (PubChem CID 61247341) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
PubChem CID61247341
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H19NO3/c1-8(2)6-10(7-14)13-12(15)11-9(3)4-5-16-11/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyPRDXGSFJKZZXEA-UHFFFAOYSA-N
XLogP1.72
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 79252738
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide (CID 61247341) is N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide?
The InChIKey is PRDXGSFJKZZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(2)6-10(7-14)13-12(15)11-9(3)4-5-16-11/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 61247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).