N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide

C14H21NO3 — CID 121133012

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
SMILESCc1cc(C(O)CCNC(=O)C2CCC2)c(C)o1
InChIInChI=1S/C14H21NO3/c1-9-8-12(10(2)18-9)13(16)6-7-15-14(17)11-4-3-5-11/h8,11,13,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyFSQHURCAVQZPFX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds5

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide (PubChem CID 121133012) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
PubChem CID121133012
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
SMILESCc1cc(C(O)CCNC(=O)C2CCC2)c(C)o1
InChIInChI=1S/C14H21NO3/c1-9-8-12(10(2)18-9)13(16)6-7-15-14(17)11-4-3-5-11/h8,11,13,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyFSQHURCAVQZPFX-UHFFFAOYSA-N
XLogP2.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97042843
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 124759968
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 121133059
1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97042999
N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide (CID 121133012) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide is Cc1cc(C(O)CCNC(=O)C2CCC2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide?
The InChIKey is FSQHURCAVQZPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-8-12(10(2)18-9)13(16)6-7-15-14(17)11-4-3-5-11/h8,11,13,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide is sourced from PubChem (CID 121133012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).