N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide

C17H26N2O4 — CID 78789446

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-7-19(11-14(20)18-17(2,3)4)16(21)12-9-8-10-13(22-5)15(12)23-6/h8-10H,7,11H2,1-6H3,(H,18,20)
InChIKeyYBUNCRRPBZZVDX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide (PubChem CID 78789446) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
PubChem CID78789446
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-7-19(11-14(20)18-17(2,3)4)16(21)12-9-8-10-13(22-5)15(12)23-6/h8-10H,7,11H2,1-6H3,(H,18,20)
InChIKeyYBUNCRRPBZZVDX-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 55344407
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
CID 24546507
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 71944585
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide (CID 78789446) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide?
The InChIKey is YBUNCRRPBZZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-7-19(11-14(20)18-17(2,3)4)16(21)12-9-8-10-13(22-5)15(12)23-6/h8-10H,7,11H2,1-6H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide is sourced from PubChem (CID 78789446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).