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

C20H27FN2O2 — CID 113053081

IUPACN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1F)CCC1=CCCCC1
InChIInChI=1S/C20H27FN2O2/c1-16(24)23(13-11-17-7-3-2-4-8-17)14-12-22-20(25)15-18-9-5-6-10-19(18)21/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,22,25)
InChIKeyMIRWHAPHBQNUFY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.22
Rot. Bonds8

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

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113053081) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113053081
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1F)CCC1=CCCCC1
InChIInChI=1S/C20H27FN2O2/c1-16(24)23(13-11-17-7-3-2-4-8-17)14-12-22-20(25)15-18-9-5-6-10-19(18)21/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,22,25)
InChIKeyMIRWHAPHBQNUFY-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.22
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

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 113053058
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
CID 113055638
3-(N-acetyl-2,6-difluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113135335
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide (CID 113053081) is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccccc1F)CCC1=CCCCC1.
What is the InChIKey of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is MIRWHAPHBQNUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-16(24)23(13-11-17-7-3-2-4-8-17)14-12-22-20(25)15-18-9-5-6-10-19(18)21/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113053081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).