2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid

C17H23NO4 — CID 119224899

IUPAC2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
SMILESCC1CCCC(CC(=O)Nc2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C17H23NO4/c1-12-4-2-5-13(8-12)9-16(19)18-14-6-3-7-15(10-14)22-11-17(20)21/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGXYMOKKNMWNORV-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.30
Rot. Bonds6

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

2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid (PubChem CID 119224899) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
PubChem CID119224899
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
SMILESCC1CCCC(CC(=O)Nc2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C17H23NO4/c1-12-4-2-5-13(8-12)9-16(19)18-14-6-3-7-15(10-14)22-11-17(20)21/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGXYMOKKNMWNORV-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95595690
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenoxy]acetic acid
CID 120523542

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid (CID 119224899) is 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid is CC1CCCC(CC(=O)Nc2cccc(OCC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid?
The InChIKey is GXYMOKKNMWNORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-4-2-5-13(8-12)9-16(19)18-14-6-3-7-15(10-14)22-11-17(20)21/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid?
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119224899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).