N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

C13H27N3O3 — CID 108959445

IUPACN-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,12(18)15-8-10-19-5)11(17)14-7-6-9-16(3)4/h6-10H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyLZDCYSIJADKLSO-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.16
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (PubChem CID 108959445) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
PubChem CID108959445
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,12(18)15-8-10-19-5)11(17)14-7-6-9-16(3)4/h6-10H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyLZDCYSIJADKLSO-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N-[3-(dimethylamino)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827417
2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate
CID 58419101
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (CID 108959445) is N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is COCCNC(=O)C(C)(C)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The InChIKey is LZDCYSIJADKLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,12(18)15-8-10-19-5)11(17)14-7-6-9-16(3)4/h6-10H2,1-5H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide has a molecular weight of 273.38 g/mol, XLogP of -0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).