4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid

C22H31NO5 — CID 122056600

IUPAC4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C22H31NO5/c1-15(24)17-8-10-20(28-2)18(13-17)14-21(25)23-19(9-11-22(26)27)12-16-6-4-3-5-7-16/h8,10,13,16,19H,3-7,9,11-12,14H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyGGGAEKPHJLTZMB-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.76
Rot. Bonds10

About 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid

4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid (PubChem CID 122056600) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
PubChem CID122056600
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C22H31NO5/c1-15(24)17-8-10-20(28-2)18(13-17)14-21(25)23-19(9-11-22(26)27)12-16-6-4-3-5-7-16/h8,10,13,16,19H,3-7,9,11-12,14H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyGGGAEKPHJLTZMB-UHFFFAOYSA-N
XLogP3.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid with MolForge

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751
2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505135
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-4-methylpentan-2-yl)acetamide
CID 119585445
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119211962
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
acetic acid;2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-[3-(2,2-dimethylpropanoylamino)-2-oxopropyl]-3-methylbutanamide
CID 142146260
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid?
The IUPAC name of 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid (CID 122056600) is 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid.
What is the SMILES notation for 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid?
The canonical SMILES for 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid is COc1ccc(C(C)=O)cc1CC(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid?
The InChIKey is GGGAEKPHJLTZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO5/c1-15(24)17-8-10-20(28-2)18(13-17)14-21(25)23-19(9-11-22(26)27)12-16-6-4-3-5-7-16/h8,10,13,16,19H,3-7,9,11-12,14H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid?
4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid has a molecular weight of 389.49 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid is sourced from PubChem (CID 122056600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).