2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

C18H25NO4 — CID 2738269

IUPAC2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-23-15-7-5-14(6-8-15)13-19-16(20)11-18(12-17(21)22)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyLUJHUOHOIMEDCE-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds7

About 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 2738269) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID2738269
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-23-15-7-5-14(6-8-15)13-19-16(20)11-18(12-17(21)22)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyLUJHUOHOIMEDCE-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 2738269) is 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is COc1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is LUJHUOHOIMEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-23-15-7-5-14(6-8-15)13-19-16(20)11-18(12-17(21)22)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).