N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide

C17H19NO2 — CID 893766

IUPACN-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide
SMILESC=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1
InChIInChI=1S/C17H19NO2/c1-13(2)12-16(15-8-5-4-6-9-15)18(14(3)19)17-10-7-11-20-17/h4-11,16H,1,12H2,2-3H3/t16-/m1/s1
InChIKeyWJDAKRWRHKOJJE-MRXNPFEDSA-N
MW269.34 g/mol
LogP4.34
Rot. Bonds5

About N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide

N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide (PubChem CID 893766) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide
PubChem CID893766
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide
SMILESC=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1
InChIInChI=1S/C17H19NO2/c1-13(2)12-16(15-8-5-4-6-9-15)18(14(3)19)17-10-7-11-20-17/h4-11,16H,1,12H2,2-3H3/t16-/m1/s1
InChIKeyWJDAKRWRHKOJJE-MRXNPFEDSA-N
XLogP4.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.34
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-(1-phenylbut-3-enyl)acetamide
CID 3147167
N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
CID 118989015
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate
CID 70397123
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
ethyl 2-[hydroxy(phenyl)methyl]-4-methylpent-4-enoate
CID 134956272
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
2-chloro-4-methyl-1-phenylpent-4-en-1-one
CID 14508132
4-methyl-N-(3-methyl-1-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 101488131
N-(3-methyl-1-phenylbut-3-enyl)-N-pent-4-enylaniline
CID 102510383

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide?
The IUPAC name of N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide (CID 893766) is N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide.
What is the SMILES notation for N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide?
The canonical SMILES for N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide is C=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1.
What is the InChIKey of N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide?
The InChIKey is WJDAKRWRHKOJJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(2)12-16(15-8-5-4-6-9-15)18(14(3)19)17-10-7-11-20-17/h4-11,16H,1,12H2,2-3H3/t16-/m1/s1.
What are the key properties of N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide?
N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 4.34, 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-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide is sourced from PubChem (CID 893766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).