methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate

C17H19NO4 — CID 10542314

IUPACmethyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate
SMILESCOC(=O)C(NC(C)=O)(c1ccccc1)C(C)c1ccco1
InChIInChI=1S/C17H19NO4/c1-12(15-10-7-11-22-15)17(16(20)21-3,18-13(2)19)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,18,19)
InChIKeyVZRRMAVBYLZJCM-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate

methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate (PubChem CID 10542314) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate
PubChem CID10542314
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate
SMILESCOC(=O)C(NC(C)=O)(c1ccccc1)C(C)c1ccco1
InChIInChI=1S/C17H19NO4/c1-12(15-10-7-11-22-15)17(16(20)21-3,18-13(2)19)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,18,19)
InChIKeyVZRRMAVBYLZJCM-UHFFFAOYSA-N
XLogP2.59
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
methyl 3-methyl-2-phenyl-2-silylbutanoate
CID 174683838
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
CID 101185727
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
methyl (E,2R,3S)-2-anilino-3-methyl-2-phenylhex-4-enoate
CID 139043646
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate
CID 154200263
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate?
The IUPAC name of methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate (CID 10542314) is methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate.
What is the SMILES notation for methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate?
The canonical SMILES for methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate is COC(=O)C(NC(C)=O)(c1ccccc1)C(C)c1ccco1.
What is the InChIKey of methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate?
The InChIKey is VZRRMAVBYLZJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(15-10-7-11-22-15)17(16(20)21-3,18-13(2)19)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate?
methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate has a molecular weight of 301.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate is sourced from PubChem (CID 10542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).