2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide

C21H26N2O4 — CID 46056595

IUPAC2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COC)c1
InChIInChI=1S/C21H26N2O4/c1-26-12-11-22-20(24)14-18-9-6-10-19(13-18)23(21(25)16-27-2)15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-16H2,1-2H3,(H,22,24)
InChIKeyFCALAZLQRNRSCR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.17
Rot. Bonds10

About 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide

2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 46056595) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
PubChem CID46056595
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COC)c1
InChIInChI=1S/C21H26N2O4/c1-26-12-11-22-20(24)14-18-9-6-10-19(13-18)23(21(25)16-27-2)15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-16H2,1-2H3,(H,22,24)
InChIKeyFCALAZLQRNRSCR-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
CID 46056449
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045670

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide (CID 46056595) is 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COC)c1.
What is the InChIKey of 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FCALAZLQRNRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-12-11-22-20(24)14-18-9-6-10-19(13-18)23(21(25)16-27-2)15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-16H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide?
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46056595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).