4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C22H37NO3 — CID 140576236

IUPAC4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)C2CC(C(=O)NC3CCC(C(=O)O)CC3)CCC21
InChIInChI=1S/C22H37NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h14-18H,5-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyNAPJECHGRAQGGD-UHFFFAOYSA-N
MW363.54 g/mol
LogP4.62
Rot. Bonds3

About 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 140576236) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID140576236
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)C2CC(C(=O)NC3CCC(C(=O)O)CC3)CCC21
InChIInChI=1S/C22H37NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h14-18H,5-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyNAPJECHGRAQGGD-UHFFFAOYSA-N
XLogP4.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-[(2,2-dimethylcyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 107175654
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551110
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
CID 128713974
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 140576236) is 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(C)CCC(C)(C)C2CC(C(=O)NC3CCC(C(=O)O)CC3)CCC21.
What is the InChIKey of 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NAPJECHGRAQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h14-18H,5-13H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 363.54 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 140576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).