2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid

C16H17NO5 — CID 75446936

IUPAC2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O
InChIInChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyIRYWCTGISWEAJK-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.00
Rot. Bonds5

About 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid

2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid (PubChem CID 75446936) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
PubChem CID75446936
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O
InChIInChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyIRYWCTGISWEAJK-UHFFFAOYSA-N
XLogP3.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507800
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-[(Z)-1-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 28873113
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507889

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The IUPAC name of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid (CID 75446936) is 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid is Cc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O.
What is the InChIKey of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The InChIKey is IRYWCTGISWEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid has a molecular weight of 303.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid is sourced from PubChem (CID 75446936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).