2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid

C18H23NO3 — CID 120690148

IUPAC2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc3c2CCC3)CCCCC1C(=O)O
InChIInChI=1S/C18H23NO3/c1-18(11-3-2-10-15(18)17(21)22)19-16(20)14-9-5-7-12-6-4-8-13(12)14/h5,7,9,15H,2-4,6,8,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyPFOFEEJJRVMNAM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid

2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120690148) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID120690148
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc3c2CCC3)CCCCC1C(=O)O
InChIInChI=1S/C18H23NO3/c1-18(11-3-2-10-15(18)17(21)22)19-16(20)14-9-5-7-12-6-4-8-13(12)14/h5,7,9,15H,2-4,6,8,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyPFOFEEJJRVMNAM-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120546388
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 167823229
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546278

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid (CID 120690148) is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid is CC1(NC(=O)c2cccc3c2CCC3)CCCCC1C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is PFOFEEJJRVMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(11-3-2-10-15(18)17(21)22)19-16(20)14-9-5-7-12-6-4-8-13(12)14/h5,7,9,15H,2-4,6,8,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid?
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120690148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).