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

C12H19NO3 — CID 103946130

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccoc1C
InChIInChI=1S/C12H19NO3/c1-4-12(3,6-7-14)13-11(15)10-5-8-16-9(10)2/h5,8,14H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyUWYHFCAVXNQWPN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.87
Rot. Bonds5

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

N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide (PubChem CID 103946130) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
PubChem CID103946130
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccoc1C
InChIInChI=1S/C12H19NO3/c1-4-12(3,6-7-14)13-11(15)10-5-8-16-9(10)2/h5,8,14H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyUWYHFCAVXNQWPN-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
CID 113368412

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide (CID 103946130) is N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide is CCC(C)(CCO)NC(=O)c1ccoc1C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide?
The InChIKey is UWYHFCAVXNQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-12(3,6-7-14)13-11(15)10-5-8-16-9(10)2/h5,8,14H,4,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 103946130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).