N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide

C12H16N2O2 — CID 55207585

IUPACN-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCC(C#N)CN(C)C(=O)CCc1ccco1
InChIInChI=1S/C12H16N2O2/c1-10(8-13)9-14(2)12(15)6-5-11-4-3-7-16-11/h3-4,7,10H,5-6,9H2,1-2H3
InChIKeyHQVNGAIVQOSXMO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.83
Rot. Bonds5

About N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide

N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 55207585) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
PubChem CID55207585
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCC(C#N)CN(C)C(=O)CCc1ccco1
InChIInChI=1S/C12H16N2O2/c1-10(8-13)9-14(2)12(15)6-5-11-4-3-7-16-11/h3-4,7,10H,5-6,9H2,1-2H3
InChIKeyHQVNGAIVQOSXMO-UHFFFAOYSA-N
XLogP1.83
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
CID 54943286
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695342
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide (CID 55207585) is N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide is CC(C#N)CN(C)C(=O)CCc1ccco1.
What is the InChIKey of N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is HQVNGAIVQOSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(8-13)9-14(2)12(15)6-5-11-4-3-7-16-11/h3-4,7,10H,5-6,9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide?
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 55207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).