2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid

C16H21NO4 — CID 61058468

IUPAC2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H21NO4/c18-15(9-12-5-2-1-3-6-12)17-13-7-4-8-14(10-13)21-11-16(19)20/h4,7-8,10,12H,1-3,5-6,9,11H2,(H,17,18)(H,19,20)
InChIKeyMUAWDNHABXCLGK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.06
Rot. Bonds6

About 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid

2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid (PubChem CID 61058468) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
PubChem CID61058468
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H21NO4/c18-15(9-12-5-2-1-3-6-12)17-13-7-4-8-14(10-13)21-11-16(19)20/h4,7-8,10,12H,1-3,5-6,9,11H2,(H,17,18)(H,19,20)
InChIKeyMUAWDNHABXCLGK-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]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

Related Compounds

2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
CID 119224754
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid (CID 61058468) is 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid?
The InChIKey is MUAWDNHABXCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(9-12-5-2-1-3-6-12)17-13-7-4-8-14(10-13)21-11-16(19)20/h4,7-8,10,12H,1-3,5-6,9,11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid?
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).