N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide

C13H27N3O3 — CID 71787636

IUPACN'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,3)10(17)6-7-14-11(18)12(19)15-8-9-16(4)5/h10,17H,6-9H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyRJLOIBQOUJFYOI-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.42
Rot. Bonds6

About N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide

N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide (PubChem CID 71787636) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
PubChem CID71787636
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,3)10(17)6-7-14-11(18)12(19)15-8-9-16(4)5/h10,17H,6-9H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyRJLOIBQOUJFYOI-UHFFFAOYSA-N
XLogP-0.42
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide (CID 71787636) is N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide is CN(C)CCNC(=O)C(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The InChIKey is RJLOIBQOUJFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,3)10(17)6-7-14-11(18)12(19)15-8-9-16(4)5/h10,17H,6-9H2,1-5H3,(H,14,18)(H,15,19).
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide has a molecular weight of 273.38 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide is sourced from PubChem (CID 71787636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).