N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide

C13H19NO3 — CID 80712282

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC2(CO)CC2)c1C
InChIInChI=1S/C13H19NO3/c1-8-9(2)17-10(3)11(8)12(16)14-6-13(7-15)4-5-13/h15H,4-7H2,1-3H3,(H,14,16)
InChIKeyIORBVOKUMWDNFA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.71
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 80712282) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID80712282
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC2(CO)CC2)c1C
InChIInChI=1S/C13H19NO3/c1-8-9(2)17-10(3)11(8)12(16)14-6-13(7-15)4-5-13/h15H,4-7H2,1-3H3,(H,14,16)
InChIKeyIORBVOKUMWDNFA-UHFFFAOYSA-N
XLogP1.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
1-[2-(3,5-dimethylphenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618982
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 122559983
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91954352
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 103153260
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide (CID 80712282) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NCC2(CO)CC2)c1C.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is IORBVOKUMWDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-9(2)17-10(3)11(8)12(16)14-6-13(7-15)4-5-13/h15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 80712282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).