2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid

C24H30ClNO5 — CID 24752318

IUPAC2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
SMILESCCCCC(CNC(=O)c1cc(Cl)ccc1OC)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C24H30ClNO5/c1-5-6-7-17(15-26-22(27)20-14-18(25)10-13-21(20)30-4)16-8-11-19(12-9-16)31-24(2,3)23(28)29/h8-14,17H,5-7,15H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyJHFATQMDBKULLR-UHFFFAOYSA-N
MW447.96 g/mol
LogP5.29
Rot. Bonds11

About 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid

2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid (PubChem CID 24752318) has the molecular formula C24H30ClNO5 and a molecular weight of 447.96 g/mol. Its IUPAC name is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
PubChem CID24752318
Molecular FormulaC24H30ClNO5
Molecular Weight447.96 g/mol
Exact Mass447.18
IUPAC Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
SMILESCCCCC(CNC(=O)c1cc(Cl)ccc1OC)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C24H30ClNO5/c1-5-6-7-17(15-26-22(27)20-14-18(25)10-13-21(20)30-4)16-8-11-19(12-9-16)31-24(2,3)23(28)29/h8-14,17H,5-7,15H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyJHFATQMDBKULLR-UHFFFAOYSA-N
XLogP5.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
CID 58148748
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
CID 69406161
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
CID 69405879
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752603
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid (CID 24752318) is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid is CCCCC(CNC(=O)c1cc(Cl)ccc1OC)c1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid?
The InChIKey is JHFATQMDBKULLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO5/c1-5-6-7-17(15-26-22(27)20-14-18(25)10-13-21(20)30-4)16-8-11-19(12-9-16)31-24(2,3)23(28)29/h8-14,17H,5-7,15H2,1-4H3,(H,26,27)(H,28,29).
What are the key properties of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid?
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid has a molecular weight of 447.96 g/mol, XLogP of 5.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 24752318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).