N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide

C9H19N3O2 — CID 108575110

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(2)8(13)10-5-6-11-9(14)12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyVUYMIAJBAXAEGB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.03
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide

N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide (PubChem CID 108575110) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
PubChem CID108575110
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-7(2)8(13)10-5-6-11-9(14)12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyVUYMIAJBAXAEGB-UHFFFAOYSA-N
XLogP0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylcarbamoylamino)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114898904
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methyl-3-sulfanylidenepropanamide
CID 83120557
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide (CID 108575110) is N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide?
The InChIKey is VUYMIAJBAXAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)8(13)10-5-6-11-9(14)12(3)4/h7H,5-6H2,1-4H3,(H,10,13)(H,11,14).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 108575110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).