2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid

C16H21NO4 — CID 60830957

IUPAC2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C16H21NO4/c18-14-8-6-13(7-9-14)17(11-16(20)21)15(19)10-12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,20,21)
InChIKeyYVNBHLZCSAMCPK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.78
Rot. Bonds5

About 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid

2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid (PubChem CID 60830957) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
PubChem CID60830957
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C16H21NO4/c18-14-8-6-13(7-9-14)17(11-16(20)21)15(19)10-12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,20,21)
InChIKeyYVNBHLZCSAMCPK-UHFFFAOYSA-N
XLogP2.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308
2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
CID 60831127
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
CID 60830275

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid (CID 60830957) is 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid is O=C(O)CN(C(=O)CC1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid?
The InChIKey is YVNBHLZCSAMCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-14-8-6-13(7-9-14)17(11-16(20)21)15(19)10-12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,20,21).
What are the key properties of 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid?
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 60830957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).