2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid

C19H19NO4 — CID 119219199

IUPAC2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CC=CCC2)c2ccccc12
InChIInChI=1S/C19H19NO4/c21-18(22)12-24-17-11-10-16(14-8-4-5-9-15(14)17)20-19(23)13-6-2-1-3-7-13/h1-2,4-5,8-11,13H,3,6-7,12H2,(H,20,23)(H,21,22)
InChIKeyDYYAMVUENWGHJW-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid

2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid (PubChem CID 119219199) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
PubChem CID119219199
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CC=CCC2)c2ccccc12
InChIInChI=1S/C19H19NO4/c21-18(22)12-24-17-11-10-16(14-8-4-5-9-15(14)17)20-19(23)13-6-2-1-3-7-13/h1-2,4-5,8-11,13H,3,6-7,12H2,(H,20,23)(H,21,22)
InChIKeyDYYAMVUENWGHJW-UHFFFAOYSA-N
XLogP3.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219296
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219265
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid
CID 167953139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid (CID 119219199) is 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid is O=C(O)COc1ccc(NC(=O)C2CC=CCC2)c2ccccc12.
What is the InChIKey of 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid?
The InChIKey is DYYAMVUENWGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(22)12-24-17-11-10-16(14-8-4-5-9-15(14)17)20-19(23)13-6-2-1-3-7-13/h1-2,4-5,8-11,13H,3,6-7,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid?
2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid has a molecular weight of 325.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).