2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid

C24H29NO4 — CID 166378121

IUPAC2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(NC(=O)CCc2cccc(OC3CCCC3)c2)C(=O)O)cc1C
InChIInChI=1S/C24H29NO4/c1-16-10-12-19(14-17(16)2)23(24(27)28)25-22(26)13-11-18-6-5-9-21(15-18)29-20-7-3-4-8-20/h5-6,9-10,12,14-15,20,23H,3-4,7-8,11,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZDHCPDYTFSVAAJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.50
Rot. Bonds8

About 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid

2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid (PubChem CID 166378121) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
PubChem CID166378121
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(NC(=O)CCc2cccc(OC3CCCC3)c2)C(=O)O)cc1C
InChIInChI=1S/C24H29NO4/c1-16-10-12-19(14-17(16)2)23(24(27)28)25-22(26)13-11-18-6-5-9-21(15-18)29-20-7-3-4-8-20/h5-6,9-10,12,14-15,20,23H,3-4,7-8,11,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZDHCPDYTFSVAAJ-UHFFFAOYSA-N
XLogP4.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
CID 75386019
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
CID 95352740
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid (CID 166378121) is 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid is Cc1ccc(C(NC(=O)CCc2cccc(OC3CCCC3)c2)C(=O)O)cc1C.
What is the InChIKey of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid?
The InChIKey is ZDHCPDYTFSVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-16-10-12-19(14-17(16)2)23(24(27)28)25-22(26)13-11-18-6-5-9-21(15-18)29-20-7-3-4-8-20/h5-6,9-10,12,14-15,20,23H,3-4,7-8,11,13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid?
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid has a molecular weight of 395.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 166378121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).