N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide

C22H28N2O — CID 119549120

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
SMILESNc1ccc(CCNC(=O)CC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c23-21-12-8-17(9-13-21)14-15-24-22(25)16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-5,8-9,12-13,18,20H,6-7,10-11,14-16,23H2,(H,24,25)
InChIKeyXQDIRLKYXLVYGL-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide (PubChem CID 119549120) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
PubChem CID119549120
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
SMILESNc1ccc(CCNC(=O)CC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c23-21-12-8-17(9-13-21)14-15-24-22(25)16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-5,8-9,12-13,18,20H,6-7,10-11,14-16,23H2,(H,24,25)
InChIKeyXQDIRLKYXLVYGL-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide (CID 119549120) is N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide is Nc1ccc(CCNC(=O)CC2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide?
The InChIKey is XQDIRLKYXLVYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c23-21-12-8-17(9-13-21)14-15-24-22(25)16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-5,8-9,12-13,18,20H,6-7,10-11,14-16,23H2,(H,24,25).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 119549120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).