2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide

C9H19N3O2 — CID 164884557

IUPAC2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N(C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)7(8(10)13)12(5)9(14)11(3)4/h6-7H,1-5H3,(H2,10,13)
InChIKeyTTXWLHJMLOOBID-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.11
Rot. Bonds3

About 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide

2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide (PubChem CID 164884557) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide
PubChem CID164884557
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N(C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)7(8(10)13)12(5)9(14)11(3)4/h6-7H,1-5H3,(H2,10,13)
InChIKeyTTXWLHJMLOOBID-UHFFFAOYSA-N
XLogP0.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide (CID 164884557) is 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide is CC(C)C(C(N)=O)N(C)C(=O)N(C)C.
What is the InChIKey of 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide?
The InChIKey is TTXWLHJMLOOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)7(8(10)13)12(5)9(14)11(3)4/h6-7H,1-5H3,(H2,10,13).
What are the key properties of 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide?
2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanamide is sourced from PubChem (CID 164884557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).