4-tert-butyl-N,N,3-trimethylbenzamide

C14H21NO — CID 118473510

IUPAC4-tert-butyl-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-10-9-11(13(16)15(5)6)7-8-12(10)14(2,3)4/h7-9H,1-6H3
InChIKeyFTFLUQUPGRMNFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds1

About 4-tert-butyl-N,N,3-trimethylbenzamide

4-tert-butyl-N,N,3-trimethylbenzamide (PubChem CID 118473510) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-tert-butyl-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N,N,3-trimethylbenzamide
PubChem CID118473510
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-tert-butyl-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-10-9-11(13(16)15(5)6)7-8-12(10)14(2,3)4/h7-9H,1-6H3
InChIKeyFTFLUQUPGRMNFX-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-tert-butyl-N,N-dimethylbenzamide
CID 19348783
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-hydrazinyl-N,N,3-trimethylbenzamide
CID 63211691
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
4-ethynyl-N,N,3-trimethylbenzamide
CID 154827540
phenyl 4-tert-butyl-3-methylbenzoate
CID 130395625
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
4-[4-(dimethylcarbamoyl)phenyl]-3-methylbenzoic acid
CID 53227797
4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 22486809
4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide
CID 158310192

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N,3-trimethylbenzamide?
The IUPAC name of 4-tert-butyl-N,N,3-trimethylbenzamide (CID 118473510) is 4-tert-butyl-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-tert-butyl-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-tert-butyl-N,N,3-trimethylbenzamide is Cc1cc(C(=O)N(C)C)ccc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N,N,3-trimethylbenzamide?
The InChIKey is FTFLUQUPGRMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-9-11(13(16)15(5)6)7-8-12(10)14(2,3)4/h7-9H,1-6H3.
What are the key properties of 4-tert-butyl-N,N,3-trimethylbenzamide?
4-tert-butyl-N,N,3-trimethylbenzamide has a molecular weight of 219.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N,3-trimethylbenzamide is sourced from PubChem (CID 118473510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).