2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid

C19H21NO4 — CID 119240314

IUPAC2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
SMILESCc1cc(NC(=O)Cc2cccc(OC(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-12(2)24-16-6-4-5-14(10-16)11-18(21)20-15-7-8-17(19(22)23)13(3)9-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFMPXQEZAGOWEHD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.66
Rot. Bonds6

About 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid

2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid (PubChem CID 119240314) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
PubChem CID119240314
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
SMILESCc1cc(NC(=O)Cc2cccc(OC(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-12(2)24-16-6-4-5-14(10-16)11-18(21)20-15-7-8-17(19(22)23)13(3)9-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFMPXQEZAGOWEHD-UHFFFAOYSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
N-(1,2-oxazol-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 75399150
2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 119240417
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-methyl-4-(4-phenylmethoxybutanoylamino)benzoic acid
CID 119240384
N-(4-methylpyrimidin-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 99842142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid (CID 119240314) is 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid is Cc1cc(NC(=O)Cc2cccc(OC(C)C)c2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is FMPXQEZAGOWEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(2)24-16-6-4-5-14(10-16)11-18(21)20-15-7-8-17(19(22)23)13(3)9-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid?
2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 119240314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).