N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide

C13H26N2O3 — CID 103919391

IUPACN-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCCCCCCO
InChIInChI=1S/C13H26N2O3/c1-13(2,3)12(18)15-10-11(17)14-8-6-4-5-7-9-16/h16H,4-10H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyPVRQJBUNGYZQHJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds8

About N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 103919391) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID103919391
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCCCCCCO
InChIInChI=1S/C13H26N2O3/c1-13(2,3)12(18)15-10-11(17)14-8-6-4-5-7-9-16/h16H,4-10H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyPVRQJBUNGYZQHJ-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 103919391) is N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)NCCCCCCO.
What is the InChIKey of N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is PVRQJBUNGYZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)12(18)15-10-11(17)14-8-6-4-5-7-9-16/h16H,4-10H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103919391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).