2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide

C12H18N2O3 — CID 47035846

IUPAC2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCc1ccco1)C(=O)N(C)C
InChIInChI=1S/C12H18N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15)
InChIKeyCLRLIWXVSPAXNV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.81
Rot. Bonds5

About 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide

2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide (PubChem CID 47035846) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
PubChem CID47035846
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCc1ccco1)C(=O)N(C)C
InChIInChI=1S/C12H18N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15)
InChIKeyCLRLIWXVSPAXNV-UHFFFAOYSA-N
XLogP0.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 125443269
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide (CID 47035846) is 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide is CC(NC(=O)CCc1ccco1)C(=O)N(C)C.
What is the InChIKey of 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide?
The InChIKey is CLRLIWXVSPAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(12(16)14(2)3)13-11(15)7-6-10-5-4-8-17-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15).
What are the key properties of 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide?
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 47035846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).