N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide

C16H24N2O2 — CID 78801953

IUPACN-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCCCCCCNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-16(20)13-18-15(19)12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,20)(H,18,19)
InChIKeyOHOBOXMKSSUVRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds9

About N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide

N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 78801953) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
PubChem CID78801953
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCCCCCCNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-16(20)13-18-15(19)12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,20)(H,18,19)
InChIKeyOHOBOXMKSSUVRK-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
benzyl 2-[[2-(decylcarbamoylamino)acetyl]amino]acetate
CID 71063307
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
N-(4-phenylbutyl)hexanamide
CID 4985988
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide (CID 78801953) is N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide is CCCCCCNC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is OHOBOXMKSSUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-16(20)13-18-15(19)12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 78801953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).