3-methyl-N,N-bis(trideuteriomethyl)benzamide

C10H13NO — CID 167709287

IUPAC3-methyl-N,N-bis(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cccc(C)c1)C([2H])([2H])[2H]
InChIInChI=1S/C10H13NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h4-7H,1-3H3/i2D3,3D3
InChIKeySWYVHBPXKKDGLL-XERRXZQWSA-N
MW169.26 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-N,N-bis(trideuteriomethyl)benzamide

3-methyl-N,N-bis(trideuteriomethyl)benzamide (PubChem CID 167709287) has the molecular formula C10H13NO and a molecular weight of 169.26 g/mol. Its IUPAC name is 3-methyl-N,N-bis(trideuteriomethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N,N-bis(trideuteriomethyl)benzamide
PubChem CID167709287
Molecular FormulaC10H13NO
Molecular Weight169.26 g/mol
Exact Mass169.14
IUPAC Name3-methyl-N,N-bis(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cccc(C)c1)C([2H])([2H])[2H]
InChIInChI=1S/C10H13NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h4-7H,1-3H3/i2D3,3D3
InChIKeySWYVHBPXKKDGLL-XERRXZQWSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzenecarboselenoic Se-acid
CID 166513879
3-iodobenzoic acid;3-iodo-N,N-bis(trideuteriomethyl)benzamide;methane;1,1,1-trideuterio-N-methylmethanamine
CID 159049112
3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91710717
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
gallium tris(3-methylbenzoate)
CID 22604030
CID 101297342
CID 101297342
N-(benzenesulfonyl)-N,3-dimethylbenzamide
CID 47276844

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-bis(trideuteriomethyl)benzamide?
The IUPAC name of 3-methyl-N,N-bis(trideuteriomethyl)benzamide (CID 167709287) is 3-methyl-N,N-bis(trideuteriomethyl)benzamide.
What is the SMILES notation for 3-methyl-N,N-bis(trideuteriomethyl)benzamide?
The canonical SMILES for 3-methyl-N,N-bis(trideuteriomethyl)benzamide is [2H]C([2H])([2H])N(C(=O)c1cccc(C)c1)C([2H])([2H])[2H].
What is the InChIKey of 3-methyl-N,N-bis(trideuteriomethyl)benzamide?
The InChIKey is SWYVHBPXKKDGLL-XERRXZQWSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h4-7H,1-3H3/i2D3,3D3.
What are the key properties of 3-methyl-N,N-bis(trideuteriomethyl)benzamide?
3-methyl-N,N-bis(trideuteriomethyl)benzamide has a molecular weight of 169.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-bis(trideuteriomethyl)benzamide is sourced from PubChem (CID 167709287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).