2-cyclohexyl-2-(2-methoxyanilino)acetic acid

C15H21NO3 — CID 54890828

IUPAC2-cyclohexyl-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h5-6,9-11,14,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyLDRNNCMAZOMHAW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds5

About 2-cyclohexyl-2-(2-methoxyanilino)acetic acid

2-cyclohexyl-2-(2-methoxyanilino)acetic acid (PubChem CID 54890828) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methoxyanilino)acetic acid
PubChem CID54890828
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-cyclohexyl-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h5-6,9-11,14,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyLDRNNCMAZOMHAW-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
2-cyclohexyl-2-(2-methyl-3-nitroanilino)acetic acid
CID 63077083
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
2-cyclopropyl-2-(2,4-dibromo-5-methoxyanilino)acetic acid
CID 103414999
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one
CID 102029608
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methoxyanilino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-methoxyanilino)acetic acid (CID 54890828) is 2-cyclohexyl-2-(2-methoxyanilino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-methoxyanilino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-methoxyanilino)acetic acid is COc1ccccc1NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methoxyanilino)acetic acid?
The InChIKey is LDRNNCMAZOMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h5-6,9-11,14,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-2-(2-methoxyanilino)acetic acid?
2-cyclohexyl-2-(2-methoxyanilino)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-methoxyanilino)acetic acid is sourced from PubChem (CID 54890828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).