3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide

C12H18N2O2 — CID 115865995

IUPAC3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC/C=C/c1ccco1
InChIInChI=1S/C12H18N2O2/c1-14(2)12(15)7-9-13-8-3-5-11-6-4-10-16-11/h3-6,10,13H,7-9H2,1-2H3/b5-3+
InChIKeyGSWYSJNULRIIFZ-HWKANZROSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds6

About 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide

3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide (PubChem CID 115865995) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
PubChem CID115865995
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC/C=C/c1ccco1
InChIInChI=1S/C12H18N2O2/c1-14(2)12(15)7-9-13-8-3-5-11-6-4-10-16-11/h3-6,10,13H,7-9H2,1-2H3/b5-3+
InChIKeyGSWYSJNULRIIFZ-HWKANZROSA-N
XLogP1.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
3-[[(E)-4-chlorobut-2-enyl]amino]-N,N-dimethylpropanamide
CID 81431155
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide (CID 115865995) is 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC/C=C/c1ccco1.
What is the InChIKey of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide?
The InChIKey is GSWYSJNULRIIFZ-HWKANZROSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)12(15)7-9-13-8-3-5-11-6-4-10-16-11/h3-6,10,13H,7-9H2,1-2H3/b5-3+.
What are the key properties of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide?
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 115865995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).