2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide

C22H27N3O3 — CID 71483891

IUPAC2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide
SMILESNc1ccccc1NC(=O)CC1CCCC(CC(=O)Nc2ccc(O)cc2)C1
InChIInChI=1S/C22H27N3O3/c23-19-6-1-2-7-20(19)25-22(28)14-16-5-3-4-15(12-16)13-21(27)24-17-8-10-18(26)11-9-17/h1-2,6-11,15-16,26H,3-5,12-14,23H2,(H,24,27)(H,25,28)
InChIKeyQTYXMPXQEQXXPC-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.14
Rot. Bonds6

About 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide

2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide (PubChem CID 71483891) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide
PubChem CID71483891
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide
SMILESNc1ccccc1NC(=O)CC1CCCC(CC(=O)Nc2ccc(O)cc2)C1
InChIInChI=1S/C22H27N3O3/c23-19-6-1-2-7-20(19)25-22(28)14-16-5-3-4-15(12-16)13-21(27)24-17-8-10-18(26)11-9-17/h1-2,6-11,15-16,26H,3-5,12-14,23H2,(H,24,27)(H,25,28)
InChIKeyQTYXMPXQEQXXPC-UHFFFAOYSA-N
XLogP4.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide (CID 71483891) is 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide is Nc1ccccc1NC(=O)CC1CCCC(CC(=O)Nc2ccc(O)cc2)C1.
What is the InChIKey of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is QTYXMPXQEQXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-19-6-1-2-7-20(19)25-22(28)14-16-5-3-4-15(12-16)13-21(27)24-17-8-10-18(26)11-9-17/h1-2,6-11,15-16,26H,3-5,12-14,23H2,(H,24,27)(H,25,28).
What are the key properties of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide?
2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 71483891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).