N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide

C19H28N2O4 — CID 18118239

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-8-9-13-10-14(11-15(24-6)17(13)25-7)18(23)21(5)12-16(22)20-19(2,3)4/h8,10-11H,1,9,12H2,2-7H3,(H,20,22)
InChIKeyGUXGMHOCEAOBEG-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide (PubChem CID 18118239) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
PubChem CID18118239
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C19H28N2O4/c1-8-9-13-10-14(11-15(24-6)17(13)25-7)18(23)21(5)12-16(22)20-19(2,3)4/h8,10-11H,1,9,12H2,2-7H3,(H,20,22)
InChIKeyGUXGMHOCEAOBEG-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 55580184
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-tert-butyl-2-[[N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384378
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3,4-dimethoxy-N-methyl-N-(2-methylcyclohexyl)-5-prop-2-enylbenzamide
CID 112815511
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 9201503
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide (CID 18118239) is N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide?
The InChIKey is GUXGMHOCEAOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-8-9-13-10-14(11-15(24-6)17(13)25-7)18(23)21(5)12-16(22)20-19(2,3)4/h8,10-11H,1,9,12H2,2-7H3,(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide has a molecular weight of 348.44 g/mol, XLogP of 2.42, 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]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide is sourced from PubChem (CID 18118239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).