2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

C19H26FN3O2 — CID 8676470

IUPAC2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1cccc(F)c1)C1=CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-3-23(17-10-5-4-6-11-17)19(25)14-22(2)13-18(24)21-16-9-7-8-15(20)12-16/h7-10,12H,3-6,11,13-14H2,1-2H3,(H,21,24)
InChIKeyJAFLKHMAIXZJIF-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.00
Rot. Bonds7

About 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 8676470) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID8676470
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1cccc(F)c1)C1=CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-3-23(17-10-5-4-6-11-17)19(25)14-22(2)13-18(24)21-16-9-7-8-15(20)12-16/h7-10,12H,3-6,11,13-14H2,1-2H3,(H,21,24)
InChIKeyJAFLKHMAIXZJIF-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709957
2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556401
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665980
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846807
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 8676470) is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is CCN(C(=O)CN(C)CC(=O)Nc1cccc(F)c1)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is JAFLKHMAIXZJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-23(17-10-5-4-6-11-17)19(25)14-22(2)13-18(24)21-16-9-7-8-15(20)12-16/h7-10,12H,3-6,11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8676470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).