2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid

C16H17NO4 — CID 80549404

IUPAC2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H17NO4/c1-10-8-9-21-13(10)14(18)17-12-6-4-11(5-7-12)16(2,3)15(19)20/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyJUROEHXHHFZTJE-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 80549404) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID80549404
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H17NO4/c1-10-8-9-21-13(10)14(18)17-12-6-4-11(5-7-12)16(2,3)15(19)20/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyJUROEHXHHFZTJE-UHFFFAOYSA-N
XLogP3.20
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
3-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]butanoic acid
CID 104501841
3-[2-methyl-5-[(3-methylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 77011731
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid (CID 80549404) is 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid is Cc1ccoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is JUROEHXHHFZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-8-9-21-13(10)14(18)17-12-6-4-11(5-7-12)16(2,3)15(19)20/h4-9H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 80549404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).