2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid

C18H27NO2 — CID 65057316

IUPAC2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
SMILESCC1CCC(C(C)C)C(N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(12-18(20)21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,21)
InChIKeyRQPOGEBTYXFDQA-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.04
Rot. Bonds5

About 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid

2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid (PubChem CID 65057316) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
PubChem CID65057316
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
SMILESCC1CCC(C(C)C)C(N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(12-18(20)21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,21)
InChIKeyRQPOGEBTYXFDQA-UHFFFAOYSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
2-(N-(2-propan-2-yloxan-4-yl)anilino)acetic acid
CID 65059336
2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
CID 65059121
2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
CID 21407160
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
CID 10096491
CID 10096491
CID 10277160
CID 10277160
N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
CID 175008628
[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-triphenylphosphanium
CID 98143975
2-phenylethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275689

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid?
The IUPAC name of 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid (CID 65057316) is 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid is CC1CCC(C(C)C)C(N(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid?
The InChIKey is RQPOGEBTYXFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(12-18(20)21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,21).
What are the key properties of 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid?
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid has a molecular weight of 289.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid is sourced from PubChem (CID 65057316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).