N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide

C13H29N3O2 — CID 79281897

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)8-12(10-16(3)4)15-13(17)9-14-6-7-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyNTZJIBKBWCLILB-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.31
Rot. Bonds10

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79281897) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
PubChem CID79281897
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)8-12(10-16(3)4)15-13(17)9-14-6-7-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyNTZJIBKBWCLILB-UHFFFAOYSA-N
XLogP0.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide
CID 114113781
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
CID 119730916
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119796579
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
CID 79282466

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide (CID 79281897) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC(CC(C)C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is NTZJIBKBWCLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-11(2)8-12(10-16(3)4)15-13(17)9-14-6-7-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 259.39 g/mol, XLogP of 0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79281897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).