6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid

C21H25NO5 — CID 140987432

IUPAC6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid
SMILESCOc1ccccc1C(=O)N(C)c1ccc(OCCCCCC(=O)O)cc1
InChIInChI=1S/C21H25NO5/c1-22(21(25)18-8-5-6-9-19(18)26-2)16-11-13-17(14-12-16)27-15-7-3-4-10-20(23)24/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,24)
InChIKeyYALAFZWGPBPXSY-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.00
Rot. Bonds10

About 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid

6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid (PubChem CID 140987432) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid
PubChem CID140987432
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid
SMILESCOc1ccccc1C(=O)N(C)c1ccc(OCCCCCC(=O)O)cc1
InChIInChI=1S/C21H25NO5/c1-22(21(25)18-8-5-6-9-19(18)26-2)16-11-13-17(14-12-16)27-15-7-3-4-10-20(23)24/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,24)
InChIKeyYALAFZWGPBPXSY-UHFFFAOYSA-N
XLogP4.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
9-phenoxynonanoic acid
CID 15887638
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 67259239
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid?
The IUPAC name of 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid (CID 140987432) is 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid.
What is the SMILES notation for 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid?
The canonical SMILES for 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid is COc1ccccc1C(=O)N(C)c1ccc(OCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid?
The InChIKey is YALAFZWGPBPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-22(21(25)18-8-5-6-9-19(18)26-2)16-11-13-17(14-12-16)27-15-7-3-4-10-20(23)24/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid?
6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid has a molecular weight of 371.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methoxybenzoyl)-methylamino]phenoxy]hexanoic acid is sourced from PubChem (CID 140987432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).