4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid

C20H25NO5 — CID 120532205

IUPAC4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1
InChIInChI=1S/C20H25NO5/c1-13(2)14-6-5-7-15(10-14)16-8-9-17(26-16)19(24)21-20(3,12-25-4)11-18(22)23/h5-10,13H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyUFDJHULWIMWLBE-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.68
Rot. Bonds8

About 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid (PubChem CID 120532205) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid
PubChem CID120532205
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1
InChIInChI=1S/C20H25NO5/c1-13(2)14-6-5-7-15(10-14)16-8-9-17(26-16)19(24)21-20(3,12-25-4)11-18(22)23/h5-10,13H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyUFDJHULWIMWLBE-UHFFFAOYSA-N
XLogP3.68
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126433393
4-methoxy-3-methyl-3-[(2-methyl-5-phenylpentanoyl)amino]butanoic acid
CID 120532197
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid (CID 120532205) is 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1.
What is the InChIKey of 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid?
The InChIKey is UFDJHULWIMWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-13(2)14-6-5-7-15(10-14)16-8-9-17(26-16)19(24)21-20(3,12-25-4)11-18(22)23/h5-10,13H,11-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid has a molecular weight of 359.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120532205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).