3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

C12H15N3O2 — CID 63930998

IUPAC3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCc1ccco1
InChIInChI=1S/C12H15N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h2-3,6-8H,4-5,9H2,1H3,(H,13,14)
InChIKeyFVAXMXADCSSIHH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.59
Rot. Bonds5

About 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (PubChem CID 63930998) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
PubChem CID63930998
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCc1ccco1
InChIInChI=1S/C12H15N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h2-3,6-8H,4-5,9H2,1H3,(H,13,14)
InChIKeyFVAXMXADCSSIHH-UHFFFAOYSA-N
XLogP1.59
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63929732
2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide
CID 56706763
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (CID 63930998) is 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is CN(Cc1ncc[nH]1)C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The InChIKey is FVAXMXADCSSIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h2-3,6-8H,4-5,9H2,1H3,(H,13,14).
What are the key properties of 3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.59, 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-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 63930998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).