3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid

C16H17NO5 — CID 119196669

IUPAC3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1ccoc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C16H17NO5/c1-9(2)22-13-5-4-11(16(19)20)8-12(13)17-15(18)14-10(3)6-7-21-14/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeySBSVLVVHKRKOIU-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.33
Rot. Bonds5

About 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid

3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196669) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196669
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1ccoc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C16H17NO5/c1-9(2)22-13-5-4-11(16(19)20)8-12(13)17-15(18)14-10(3)6-7-21-14/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeySBSVLVVHKRKOIU-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
4-propan-2-yloxy-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)benzoic acid
CID 119196623
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
4-propan-2-yloxy-3-(spiro[2.2]pentane-2-carbonylamino)benzoic acid
CID 122107361
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196435
3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 129469789
3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196498

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid (CID 119196669) is 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid is Cc1ccoc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C.
What is the InChIKey of 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is SBSVLVVHKRKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9(2)22-13-5-4-11(16(19)20)8-12(13)17-15(18)14-10(3)6-7-21-14/h4-9H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 303.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).