N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide

C16H17NO2 — CID 3147167

IUPACN-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
SMILESC=CCC(c1ccccc1)N(C(C)=O)c1ccco1
InChIInChI=1S/C16H17NO2/c1-3-8-15(14-9-5-4-6-10-14)17(13(2)18)16-11-7-12-19-16/h3-7,9-12,15H,1,8H2,2H3
InChIKeyKWAXAMVLUTXYKN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.95
Rot. Bonds5

About N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide

N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide (PubChem CID 3147167) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
PubChem CID3147167
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
SMILESC=CCC(c1ccccc1)N(C(C)=O)c1ccco1
InChIInChI=1S/C16H17NO2/c1-3-8-15(14-9-5-4-6-10-14)17(13(2)18)16-11-7-12-19-16/h3-7,9-12,15H,1,8H2,2H3
InChIKeyKWAXAMVLUTXYKN-UHFFFAOYSA-N
XLogP3.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.95
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

N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide
CID 893766
N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
CID 118989015
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
(2R,3S)-3-(benzhydrylideneamino)-N,N-dimethyl-2-phenylhex-5-enamide
CID 134955118
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
CID 2430997
2-(furan-2-carbonylamino)pent-4-enoic acid
CID 115563156
ethyl 2-[[methyl-[(1S)-1-phenylbut-3-enyl]amino]methyl]prop-2-enoate
CID 11550821
N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide
CID 102418814
[(1Z)-3-benzoyl-1-(furan-2-yl)hexa-1,5-dien-2-yl] acetate
CID 102390026

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide?
The IUPAC name of N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide (CID 3147167) is N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide.
What is the SMILES notation for N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide?
The canonical SMILES for N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide is C=CCC(c1ccccc1)N(C(C)=O)c1ccco1.
What is the InChIKey of N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide?
The InChIKey is KWAXAMVLUTXYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-8-15(14-9-5-4-6-10-14)17(13(2)18)16-11-7-12-19-16/h3-7,9-12,15H,1,8H2,2H3.
What are the key properties of N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide?
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide is sourced from PubChem (CID 3147167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).