4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid

C27H32N2O6 — CID 123214250

IUPAC4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid
SMILESO=C(Cc1ccc(C(=O)O)c2c(C(=O)NC3CCCCC3)ccc(C(=O)O)c12)NC1CCCCC1
InChIInChI=1S/C27H32N2O6/c30-22(28-17-7-3-1-4-8-17)15-16-11-12-21(27(34)35)24-19(13-14-20(23(16)24)26(32)33)25(31)29-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35)
InChIKeyVVXOQAMYOPWDAH-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.29
Rot. Bonds7

About 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid

4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid (PubChem CID 123214250) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid
PubChem CID123214250
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid
SMILESO=C(Cc1ccc(C(=O)O)c2c(C(=O)NC3CCCCC3)ccc(C(=O)O)c12)NC1CCCCC1
InChIInChI=1S/C27H32N2O6/c30-22(28-17-7-3-1-4-8-17)15-16-11-12-21(27(34)35)24-19(13-14-20(23(16)24)26(32)33)25(31)29-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35)
InChIKeyVVXOQAMYOPWDAH-UHFFFAOYSA-N
XLogP4.29
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-methylnaphthalene-1-carboxylic acid
CID 58526808
4-(2-cyclohexylacetyl)-10-(cyclohexylcarbamoyl)-9-methylperylene-3-carboxylic acid
CID 58526845
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
4-methyl-5-[(4-methylcyclohexyl)carbamoyl]-8-[2-(4-methylcyclohexyl)ethyl]naphthalene-1-carboxylic acid
CID 58526812
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
5-carbamoyl-8-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]naphthalene-1,4-dicarboxylic acid
CID 141248788
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid?
The IUPAC name of 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid (CID 123214250) is 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid.
What is the SMILES notation for 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid?
The canonical SMILES for 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid is O=C(Cc1ccc(C(=O)O)c2c(C(=O)NC3CCCCC3)ccc(C(=O)O)c12)NC1CCCCC1.
What is the InChIKey of 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid?
The InChIKey is VVXOQAMYOPWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c30-22(28-17-7-3-1-4-8-17)15-16-11-12-21(27(34)35)24-19(13-14-20(23(16)24)26(32)33)25(31)29-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35).
What are the key properties of 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid?
4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid has a molecular weight of 480.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid is sourced from PubChem (CID 123214250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).