(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide

C9H19N3O2 — CID 122467802

IUPAC(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](C(=O)N(C)C(N)=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)7(11(3)4)8(13)12(5)9(10)14/h6-7H,1-5H3,(H2,10,14)/t7-/m0/s1
InChIKeyWGZBKEKNJKRYTR-ZETCQYMHSA-N
MW201.27 g/mol
LogP0.11
Rot. Bonds3

About (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide

(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide (PubChem CID 122467802) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide
PubChem CID122467802
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](C(=O)N(C)C(N)=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)7(11(3)4)8(13)12(5)9(10)14/h6-7H,1-5H3,(H2,10,14)/t7-/m0/s1
InChIKeyWGZBKEKNJKRYTR-ZETCQYMHSA-N
XLogP0.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

3-Butyl-5-(1-methylethyl)-2,4-imidazolidinedione
CID 19078762
(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide
CID 87326635
N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide
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N-carbamoyl-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 45810949
5-isopropyl-N-propionylhydantoin
CID 129824033
3-Isobutyl-5-isopropylhydantoin
CID 138961430
N-carbamoyl-3-methyl-2-(pentan-3-ylamino)butanamide
CID 16244728
2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 42910263
1,3-Bis[(dimethylamino)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 20350372
3-(Diethylaminomethyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 20350437
1-Methyl-3,5-di(propan-2-yl)imidazolidine-2,4-dione
CID 20641830
1,3-Dimethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 21340906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide (CID 122467802) is (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide is CC(C)[C@@H](C(=O)N(C)C(N)=O)N(C)C.
What is the InChIKey of (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide?
The InChIKey is WGZBKEKNJKRYTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)7(11(3)4)8(13)12(5)9(10)14/h6-7H,1-5H3,(H2,10,14)/t7-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide?
(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 122467802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).