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

C19H23NO5 — CID 19456728

IUPACmethyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1
InChIInChI=1S/C19H23NO5/c1-12(2)15-7-5-13(3)9-17(15)24-11-14-6-8-16(25-14)19(22)20-10-18(21)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,22)
InChIKeyQVZWFRQMCKMWGZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.19
Rot. Bonds7

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

methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate (PubChem CID 19456728) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
PubChem CID19456728
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1
InChIInChI=1S/C19H23NO5/c1-12(2)15-7-5-13(3)9-17(15)24-11-14-6-8-16(25-14)19(22)20-10-18(21)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,22)
InChIKeyQVZWFRQMCKMWGZ-UHFFFAOYSA-N
XLogP3.19
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19571696
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19322731
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456660
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19336201
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19456697
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456761
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19341165
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate (CID 19456728) is methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1.
What is the InChIKey of methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
The InChIKey is QVZWFRQMCKMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(2)15-7-5-13(3)9-17(15)24-11-14-6-8-16(25-14)19(22)20-10-18(21)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,22).
What are the key properties of methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate?
methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 19456728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).