N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide

C9H17N3O2 — CID 115371098

IUPACN,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide
SMILESCC(C(=O)N(C)C)N1CCCNC1=O
InChIInChI=1S/C9H17N3O2/c1-7(8(13)11(2)3)12-6-4-5-10-9(12)14/h7H,4-6H2,1-3H3,(H,10,14)
InChIKeyCHHDRFKBAZXEAM-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.12
Rot. Bonds2

About N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide

N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide (PubChem CID 115371098) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide
PubChem CID115371098
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide
SMILESCC(C(=O)N(C)C)N1CCCNC1=O
InChIInChI=1S/C9H17N3O2/c1-7(8(13)11(2)3)12-6-4-5-10-9(12)14/h7H,4-6H2,1-3H3,(H,10,14)
InChIKeyCHHDRFKBAZXEAM-UHFFFAOYSA-N
XLogP-0.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one
CID 142006413
1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one
CID 143382983
1-(4-methylpentan-2-yl)-1,3-diazinan-2-one
CID 115370936
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
methyl 2-(2-oxoimidazolidin-1-yl)propanoate
CID 115370601
1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
CID 115370924
3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanal
CID 143176863
N,N-dimethyl-2-(2-piperidin-4-ylpyrrolidin-1-yl)propanamide
CID 66271524
1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
CID 115371151
2-(2,2-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
CID 65462373
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579
1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one
CID 115371002

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide (CID 115371098) is N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide is CC(C(=O)N(C)C)N1CCCNC1=O.
What is the InChIKey of N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide?
The InChIKey is CHHDRFKBAZXEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(8(13)11(2)3)12-6-4-5-10-9(12)14/h7H,4-6H2,1-3H3,(H,10,14).
What are the key properties of N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide?
N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxo-1,3-diazinan-1-yl)propanamide is sourced from PubChem (CID 115371098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).