N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide

C18H28N2O4 — CID 30471741

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-7-20(12-16(21)19-18(2,3)4)17(22)11-13-8-9-14(23-5)15(10-13)24-6/h8-10H,7,11-12H2,1-6H3,(H,19,21)
InChIKeyDEJBRXYHEOEINJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide (PubChem CID 30471741) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
PubChem CID30471741
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-7-20(12-16(21)19-18(2,3)4)17(22)11-13-8-9-14(23-5)15(10-13)24-6/h8-10H,7,11-12H2,1-6H3,(H,19,21)
InChIKeyDEJBRXYHEOEINJ-UHFFFAOYSA-N
XLogP2.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
CID 35361318
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 51193404
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
CID 24546507
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide (CID 30471741) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide?
The InChIKey is DEJBRXYHEOEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-7-20(12-16(21)19-18(2,3)4)17(22)11-13-8-9-14(23-5)15(10-13)24-6/h8-10H,7,11-12H2,1-6H3,(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide has a molecular weight of 336.43 g/mol, XLogP of 2.01, 7 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]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 30471741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).