2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid

C22H31NO4 — CID 119214844

IUPAC2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)NC3(CC(=O)O)CCOCC3)ccc21
InChIInChI=1S/C22H31NO4/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)19(26)23-22(14-18(24)25)9-11-27-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWZWYOHIUAUSIMS-UHFFFAOYSA-N
MW373.49 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119214844) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119214844
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)NC3(CC(=O)O)CCOCC3)ccc21
InChIInChI=1S/C22H31NO4/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)19(26)23-22(14-18(24)25)9-11-27-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWZWYOHIUAUSIMS-UHFFFAOYSA-N
XLogP3.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
2-[4-[(3-methyl-5-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 120686766
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 120521387
2-[4-[(4-bromo-2,5-dimethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 120521397
2-[4-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]oxan-4-yl]acetic acid
CID 120521612
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
CID 119214756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid (CID 119214844) is 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid is CC1(C)CCC(C)(C)c2cc(C(=O)NC3(CC(=O)O)CCOCC3)ccc21.
What is the InChIKey of 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is WZWYOHIUAUSIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)19(26)23-22(14-18(24)25)9-11-27-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 373.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).