2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide

C12H16N2O2 — CID 55150729

IUPAC2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCCN(Cc1ccco1)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H16N2O2/c1-4-14(8-10-6-5-7-16-10)11(15)12(2,3)9-13/h5-7H,4,8H2,1-3H3
InChIKeyMKNNPIDRSMDXOF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds4

About 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide

2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide (PubChem CID 55150729) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
PubChem CID55150729
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCCN(Cc1ccco1)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H16N2O2/c1-4-14(8-10-6-5-7-16-10)11(15)12(2,3)9-13/h5-7H,4,8H2,1-3H3
InChIKeyMKNNPIDRSMDXOF-UHFFFAOYSA-N
XLogP2.18
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 60947093
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide (CID 55150729) is 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide is CCN(Cc1ccco1)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide?
The InChIKey is MKNNPIDRSMDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-14(8-10-6-5-7-16-10)11(15)12(2,3)9-13/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide?
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 55150729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).