2,6-dideuterio-N,N-diethyl-4-methylbenzamide

C12H17NO — CID 24798842

IUPAC2,6-dideuterio-N,N-diethyl-4-methylbenzamide
SMILES[2H]c1cc(C)cc([2H])c1C(=O)N(CC)CC
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/i8D,9D
InChIKeyPUZORFQMRDHKBT-XETGXLELSA-N
MW193.29 g/mol
LogP2.48
Rot. Bonds3

About 2,6-dideuterio-N,N-diethyl-4-methylbenzamide

2,6-dideuterio-N,N-diethyl-4-methylbenzamide (PubChem CID 24798842) has the molecular formula C12H17NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,6-dideuterio-N,N-diethyl-4-methylbenzamide.

Molecular Properties

Compound Name2,6-dideuterio-N,N-diethyl-4-methylbenzamide
PubChem CID24798842
Molecular FormulaC12H17NO
Molecular Weight193.29 g/mol
Exact Mass193.14
IUPAC Name2,6-dideuterio-N,N-diethyl-4-methylbenzamide
SMILES[2H]c1cc(C)cc([2H])c1C(=O)N(CC)CC
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/i8D,9D
InChIKeyPUZORFQMRDHKBT-XETGXLELSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174412487
CID 174412487
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
3-deuterio-N,N-diethylthiophene-2-carboxamide
CID 134976041
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
[4-(diethylcarbamoyl)phenyl]-trimethylazanium
CID 122214787
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066

Frequently Asked Questions

What is the IUPAC name of 2,6-dideuterio-N,N-diethyl-4-methylbenzamide?
The IUPAC name of 2,6-dideuterio-N,N-diethyl-4-methylbenzamide (CID 24798842) is 2,6-dideuterio-N,N-diethyl-4-methylbenzamide.
What is the SMILES notation for 2,6-dideuterio-N,N-diethyl-4-methylbenzamide?
The canonical SMILES for 2,6-dideuterio-N,N-diethyl-4-methylbenzamide is [2H]c1cc(C)cc([2H])c1C(=O)N(CC)CC.
What is the InChIKey of 2,6-dideuterio-N,N-diethyl-4-methylbenzamide?
The InChIKey is PUZORFQMRDHKBT-XETGXLELSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/i8D,9D.
What are the key properties of 2,6-dideuterio-N,N-diethyl-4-methylbenzamide?
2,6-dideuterio-N,N-diethyl-4-methylbenzamide has a molecular weight of 193.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dideuterio-N,N-diethyl-4-methylbenzamide is sourced from PubChem (CID 24798842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).