N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide

C15H22N2O3 — CID 18118086

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)16-13(18)10-17(4)14(19)11-7-6-8-12(9-11)20-5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeyJKZQJONDOBFZDE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide (PubChem CID 18118086) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
PubChem CID18118086
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)16-13(18)10-17(4)14(19)11-7-6-8-12(9-11)20-5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeyJKZQJONDOBFZDE-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
N-[2-(tert-butylamino)-2-oxoethyl]-3-[(4-ethoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24515644
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide (CID 18118086) is N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The InChIKey is JKZQJONDOBFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)16-13(18)10-17(4)14(19)11-7-6-8-12(9-11)20-5/h6-9H,10H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 18118086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).