4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid

C22H33NO5 — CID 10111049

IUPAC4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid
SMILESCOCCC(CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)O
InChIInChI=1S/C22H33NO5/c1-27-15-11-18(20(24)25)16-22(12-3-4-13-22)21(26)23-14-5-6-17-7-9-19(28-2)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRYJNYIUWPGRISX-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.43
Rot. Bonds12

About 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid

4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid (PubChem CID 10111049) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid
PubChem CID10111049
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC Name4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid
SMILESCOCCC(CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)O
InChIInChI=1S/C22H33NO5/c1-27-15-11-18(20(24)25)16-22(12-3-4-13-22)21(26)23-14-5-6-17-7-9-19(28-2)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRYJNYIUWPGRISX-UHFFFAOYSA-N
XLogP3.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid?
The IUPAC name of 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid (CID 10111049) is 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid is COCCC(CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid?
The InChIKey is RYJNYIUWPGRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-27-15-11-18(20(24)25)16-22(12-3-4-13-22)21(26)23-14-5-6-17-7-9-19(28-2)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid?
4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid has a molecular weight of 391.51 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid is sourced from PubChem (CID 10111049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).