N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide

C21H27N3O3 — CID 47036552

IUPACN-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide
SMILESCNC(=O)CN(CC(=O)NC)Cc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-22-20(25)13-24(14-21(26)23-2)12-17-8-10-19(11-9-17)16-27-15-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQXSHLMZSMYZUSH-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.70
Rot. Bonds10

About N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide

N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide (PubChem CID 47036552) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide
PubChem CID47036552
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide
SMILESCNC(=O)CN(CC(=O)NC)Cc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-22-20(25)13-24(14-21(26)23-2)12-17-8-10-19(11-9-17)16-27-15-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQXSHLMZSMYZUSH-UHFFFAOYSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide (CID 47036552) is N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide is CNC(=O)CN(CC(=O)NC)Cc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide?
The InChIKey is QXSHLMZSMYZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-22-20(25)13-24(14-21(26)23-2)12-17-8-10-19(11-9-17)16-27-15-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide?
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 47036552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).