3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide

C17H28N2O2 — CID 110763107

IUPAC3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1c(C(=O)NCCN(C)C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-10-13(16(20)18-8-9-19(5)6)15(21-7)14(11-12)17(2,3)4/h10-11H,8-9H2,1-7H3,(H,18,20)
InChIKeyLDJSWZDIIXANBE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds5

About 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide

3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 110763107) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID110763107
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1c(C(=O)NCCN(C)C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-10-13(16(20)18-8-9-19(5)6)15(21-7)14(11-12)17(2,3)4/h10-11H,8-9H2,1-7H3,(H,18,20)
InChIKeyLDJSWZDIIXANBE-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-chloropropan-1-one
CID 82267890
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
methyl (Z)-4-(3-tert-butyl-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82551650
N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
CID 57308752
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide
CID 139769312
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide (CID 110763107) is 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide is COc1c(C(=O)NCCN(C)C)cc(C)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is LDJSWZDIIXANBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-10-13(16(20)18-8-9-19(5)6)15(21-7)14(11-12)17(2,3)4/h10-11H,8-9H2,1-7H3,(H,18,20).
What are the key properties of 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 292.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 110763107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).