2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide

C17H27N3O3 — CID 87016166

IUPAC2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCOCc1cccc(CNC(=O)CN(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-13(2)9-20(10-16(18)21)11-17(22)19-8-14-5-4-6-15(7-14)12-23-3/h4-7,13H,8-12H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyBARVOBFGKMAVBG-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.89
Rot. Bonds10

About 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide

2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide (PubChem CID 87016166) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
PubChem CID87016166
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCOCc1cccc(CNC(=O)CN(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-13(2)9-20(10-16(18)21)11-17(22)19-8-14-5-4-6-15(7-14)12-23-3/h4-7,13H,8-12H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyBARVOBFGKMAVBG-UHFFFAOYSA-N
XLogP0.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405
2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87013076
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide (CID 87016166) is 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide is COCc1cccc(CNC(=O)CN(CC(N)=O)CC(C)C)c1.
What is the InChIKey of 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is BARVOBFGKMAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)9-20(10-16(18)21)11-17(22)19-8-14-5-4-6-15(7-14)12-23-3/h4-7,13H,8-12H2,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 0.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 87016166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).