4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid

C20H23NO5 — CID 119247006

IUPAC4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
SMILESCOc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C20H23NO5/c1-14-12-17(25-2)9-10-18(14)20(24)21-13-15-5-7-16(8-6-15)26-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQWHFQXCNGQRABS-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.18
Rot. Bonds9

About 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid

4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid (PubChem CID 119247006) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
PubChem CID119247006
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
SMILESCOc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C20H23NO5/c1-14-12-17(25-2)9-10-18(14)20(24)21-13-15-5-7-16(8-6-15)26-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQWHFQXCNGQRABS-UHFFFAOYSA-N
XLogP3.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247315
4-[4-[[(5-methoxy-2-nitrobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247257
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992
4-[4-[[(3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247225
4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247079
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
4-[4-[[[2-(2,5-dimethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247331
4-[4-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527428
4-[4-[[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247236
4-[4-[[[3-(methylcarbamoyl)benzoyl]amino]methyl]phenoxy]butanoic acid
CID 120527440

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid (CID 119247006) is 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid is COc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(C)c1.
What is the InChIKey of 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid?
The InChIKey is QWHFQXCNGQRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-12-17(25-2)9-10-18(14)20(24)21-13-15-5-7-16(8-6-15)26-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid?
4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid is sourced from PubChem (CID 119247006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).