4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C18H25NO4 — CID 119229628

IUPAC4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1cccc(CC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO4/c1-12(2)23-16-5-3-4-13(10-16)11-17(20)19-15-8-6-14(7-9-15)18(21)22/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMKDNVQNDWIOJSJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.78
Rot. Bonds6

About 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229628) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229628
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Oc1cccc(CC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO4/c1-12(2)23-16-5-3-4-13(10-16)11-17(20)19-15-8-6-14(7-9-15)18(21)22/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMKDNVQNDWIOJSJ-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398270
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229628) is 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is CC(C)Oc1cccc(CC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MKDNVQNDWIOJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12(2)23-16-5-3-4-13(10-16)11-17(20)19-15-8-6-14(7-9-15)18(21)22/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).