(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide

C17H19NO2 — CID 95119513

IUPAC(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C17H19NO2/c1-3-11-18(2)17(19)13-15(16-10-7-12-20-16)14-8-5-4-6-9-14/h3-10,12,15H,1,11,13H2,2H3/t15-/m1/s1
InChIKeyNQYJQBWRGSXMMB-OAHLLOKOSA-N
MW269.34 g/mol
LogP3.45
Rot. Bonds6

About (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide

(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 95119513) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
PubChem CID95119513
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C17H19NO2/c1-3-11-18(2)17(19)13-15(16-10-7-12-20-16)14-8-5-4-6-9-14/h3-10,12,15H,1,11,13H2,2H3/t15-/m1/s1
InChIKeyNQYJQBWRGSXMMB-OAHLLOKOSA-N
XLogP3.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide
CID 131938749
(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 95144224
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
CID 3432317
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
CID 1426584
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8756001
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
CID 82075111
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide (CID 95119513) is (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)C[C@H](c1ccccc1)c1ccco1.
What is the InChIKey of (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is NQYJQBWRGSXMMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-11-18(2)17(19)13-15(16-10-7-12-20-16)14-8-5-4-6-9-14/h3-10,12,15H,1,11,13H2,2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide?
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 269.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 95119513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).