2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C22H29N3O3 — CID 8785766

IUPAC2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H29N3O3/c1-18-9-11-20(12-10-18)23-21(26)16-24(2)17-22(27)25(13-14-28-3)15-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,23,26)
InChIKeyDYTLIOJZPDOPCL-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.54
Rot. Bonds10

About 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8785766) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8785766
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H29N3O3/c1-18-9-11-20(12-10-18)23-21(26)16-24(2)17-22(27)25(13-14-28-3)15-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,23,26)
InChIKeyDYTLIOJZPDOPCL-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785624
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 8692739
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8785766) is 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is COCCN(Cc1ccccc1)C(=O)CN(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is DYTLIOJZPDOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-18-9-11-20(12-10-18)23-21(26)16-24(2)17-22(27)25(13-14-28-3)15-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8785766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).