methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate

C19H23NO5 — CID 19450595

IUPACmethyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NCC(=O)OC)o2)cc1
InChIInChI=1S/C19H23NO5/c1-4-13(2)14-5-7-15(8-6-14)24-12-16-9-10-17(25-16)19(22)20-11-18(21)23-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)
InChIKeyFEIFOHUMFQNRJO-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.27
Rot. Bonds8

About methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate

methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate (PubChem CID 19450595) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
PubChem CID19450595
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NCC(=O)OC)o2)cc1
InChIInChI=1S/C19H23NO5/c1-4-13(2)14-5-7-15(8-6-14)24-12-16-9-10-17(25-16)19(22)20-11-18(21)23-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)
InChIKeyFEIFOHUMFQNRJO-UHFFFAOYSA-N
XLogP3.27
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate with MolForge

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Related Compounds

5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19450465
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19450499
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-[(4-butan-2-ylphenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19450520
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450525
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
5-[(4-butan-2-ylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19450446

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate (CID 19450595) is methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate is CCC(C)c1ccc(OCc2ccc(C(=O)NCC(=O)OC)o2)cc1.
What is the InChIKey of methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The InChIKey is FEIFOHUMFQNRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-4-13(2)14-5-7-15(8-6-14)24-12-16-9-10-17(25-16)19(22)20-11-18(21)23-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 19450595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).