3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C12H19NO3 — CID 79290960

IUPAC3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,15)9-13(3)11(14)7-6-10-5-4-8-16-10/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyOIIMHJWMHNHDIS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.44
Rot. Bonds5

About 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 79290960) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID79290960
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,15)9-13(3)11(14)7-6-10-5-4-8-16-10/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyOIIMHJWMHNHDIS-UHFFFAOYSA-N
XLogP1.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
2-[tert-butyl-[3-(furan-2-yl)propanoyl]amino]acetic acid
CID 79266775
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
CID 104698066
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 79667566
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 79290960) is 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CN(CC(C)(C)O)C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is OIIMHJWMHNHDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,15)9-13(3)11(14)7-6-10-5-4-8-16-10/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 79290960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).