2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide

C11H25N3O3 — CID 66178459

IUPAC2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
SMILESCOC(CC(C)(NCCN(C)C)C(N)=O)OC
InChIInChI=1S/C11H25N3O3/c1-11(10(12)15,8-9(16-4)17-5)13-6-7-14(2)3/h9,13H,6-8H2,1-5H3,(H2,12,15)
InChIKeyQKDHVSHDJLDUBN-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.61
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide

2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide (PubChem CID 66178459) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
PubChem CID66178459
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
SMILESCOC(CC(C)(NCCN(C)C)C(N)=O)OC
InChIInChI=1S/C11H25N3O3/c1-11(10(12)15,8-9(16-4)17-5)13-6-7-14(2)3/h9,13H,6-8H2,1-5H3,(H2,12,15)
InChIKeyQKDHVSHDJLDUBN-UHFFFAOYSA-N
XLogP-0.61
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66180822
4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
CID 66178652
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
CID 62950242
3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
CID 55226009
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 64704415
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
CID 66181212
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide (CID 66178459) is 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide is COC(CC(C)(NCCN(C)C)C(N)=O)OC.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The InChIKey is QKDHVSHDJLDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-11(10(12)15,8-9(16-4)17-5)13-6-7-14(2)3/h9,13H,6-8H2,1-5H3,(H2,12,15).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide has a molecular weight of 247.34 g/mol, XLogP of -0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide is sourced from PubChem (CID 66178459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).