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

C17H26N2O4 — CID 18118508

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC
InChIInChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyPJCZLMOUSGNFSB-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.67
Rot. Bonds7

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

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 18118508) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID18118508
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC
InChIInChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyPJCZLMOUSGNFSB-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-tert-butyl-2-[[N-[(2,3-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111385307
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 9309290
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
N-tert-butyl-2-[[N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]amino]acetamide
CID 111384699
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide (CID 18118508) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is PJCZLMOUSGNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 18118508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).