2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide

C18H23ClN2O2 — CID 113159715

IUPAC2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(19)8-10-17/h5,7-10H,2-4,6,11-13H2,1H3,(H,20,23)
InChIKeyRLXCSEJCTNGJOS-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.02
Rot. Bonds6

About 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide (PubChem CID 113159715) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
PubChem CID113159715
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O2/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(19)8-10-17/h5,7-10H,2-4,6,11-13H2,1H3,(H,20,23)
InChIKeyRLXCSEJCTNGJOS-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159748
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 113116812
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116811
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113116857
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide (CID 113159715) is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide is CC(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is RLXCSEJCTNGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(19)8-10-17/h5,7-10H,2-4,6,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide?
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 334.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113159715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).