N,N-bis(trideuteriomethyl)propanamide

C5H11NO — CID 155026740

IUPACN,N-bis(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])N(C(=O)CC)C([2H])([2H])[2H]
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/i2D3,3D3
InChIKeyMBHINSULENHCMF-XERRXZQWSA-N
MW107.19 g/mol
LogP0.48
Rot. Bonds3

About N,N-bis(trideuteriomethyl)propanamide

N,N-bis(trideuteriomethyl)propanamide (PubChem CID 155026740) has the molecular formula C5H11NO and a molecular weight of 107.19 g/mol. Its IUPAC name is N,N-bis(trideuteriomethyl)propanamide.

Molecular Properties

Compound NameN,N-bis(trideuteriomethyl)propanamide
PubChem CID155026740
Molecular FormulaC5H11NO
Molecular Weight107.19 g/mol
Exact Mass107.12
IUPAC NameN,N-bis(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])N(C(=O)CC)C([2H])([2H])[2H]
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/i2D3,3D3
InChIKeyMBHINSULENHCMF-XERRXZQWSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(trideuteriomethyl)propanamide?
The IUPAC name of N,N-bis(trideuteriomethyl)propanamide (CID 155026740) is N,N-bis(trideuteriomethyl)propanamide.
What is the SMILES notation for N,N-bis(trideuteriomethyl)propanamide?
The canonical SMILES for N,N-bis(trideuteriomethyl)propanamide is [2H]C([2H])([2H])N(C(=O)CC)C([2H])([2H])[2H].
What is the InChIKey of N,N-bis(trideuteriomethyl)propanamide?
The InChIKey is MBHINSULENHCMF-XERRXZQWSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/i2D3,3D3.
What are the key properties of N,N-bis(trideuteriomethyl)propanamide?
N,N-bis(trideuteriomethyl)propanamide has a molecular weight of 107.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trideuteriomethyl)propanamide is sourced from PubChem (CID 155026740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).