N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide

C16H22N2O2 — CID 79119765

IUPACN-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C16H22N2O2/c1-18(14-7-9-15(19)10-8-14)12-16(20)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeySXAVEMFOZQCSJL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.75
Rot. Bonds5

About N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide

N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (PubChem CID 79119765) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
PubChem CID79119765
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C16H22N2O2/c1-18(14-7-9-15(19)10-8-14)12-16(20)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeySXAVEMFOZQCSJL-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
CID 61230704
N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120254
N-benzyl-2-(diethylamino)acetamide
CID 969777
N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120015
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
methyl 2-[[1-[4-[2-(benzylamino)-2-oxoethyl]phenyl]piperidin-4-yl]-methylamino]acetate
CID 126464692
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (CID 79119765) is N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is CN(CC(=O)NCc1ccccc1)C1CCC(=O)CC1.
What is the InChIKey of N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The InChIKey is SXAVEMFOZQCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(14-7-9-15(19)10-8-14)12-16(20)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is sourced from PubChem (CID 79119765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).