2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C18H28N4O4 — CID 8914073

IUPAC2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C18H28N4O4/c1-13(2)19-16(23)10-21(3)12-18(25)22(4)11-17(24)20-14-7-6-8-15(9-14)26-5/h6-9,13H,10-12H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyJIEASUQCZKZEOH-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.55
Rot. Bonds9

About 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 8914073) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID8914073
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C18H28N4O4/c1-13(2)19-16(23)10-21(3)12-18(25)22(4)11-17(24)20-14-7-6-8-15(9-14)26-5/h6-9,13H,10-12H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyJIEASUQCZKZEOH-UHFFFAOYSA-N
XLogP0.55
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
CID 8594468
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]acetamide
CID 43021698
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8787145
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 8914073) is 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CN(C)CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is JIEASUQCZKZEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(2)19-16(23)10-21(3)12-18(25)22(4)11-17(24)20-14-7-6-8-15(9-14)26-5/h6-9,13H,10-12H2,1-5H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 364.45 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8914073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).