2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide

C21H27N3O3 — CID 8772652

IUPAC2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CNCC(=O)NC
InChIInChI=1S/C21H27N3O3/c1-3-24(21(26)14-23-13-20(25)22-2)15-17-9-11-19(12-10-17)27-16-18-7-5-4-6-8-18/h4-12,23H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyXOYWNBGOWCYDNF-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.95
Rot. Bonds10

About 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772652) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772652
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CNCC(=O)NC
InChIInChI=1S/C21H27N3O3/c1-3-24(21(26)14-23-13-20(25)22-2)15-17-9-11-19(12-10-17)27-16-18-7-5-4-6-8-18/h4-12,23H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyXOYWNBGOWCYDNF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 43047484
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 56522106
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(2-methoxyethylamino)acetamide
CID 119750917

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772652) is 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CNCC(=O)NC.
What is the InChIKey of 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is XOYWNBGOWCYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-24(21(26)14-23-13-20(25)22-2)15-17-9-11-19(12-10-17)27-16-18-7-5-4-6-8-18/h4-12,23H,3,13-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 369.47 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8772652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).