3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide

C21H28N2O3 — CID 87022215

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
SMILESCOCCCN(CCOC)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H28N2O3/c1-25-14-7-12-23(13-15-26-2)17-18-8-6-9-19(16-18)21(24)22-20-10-4-3-5-11-20/h3-6,8-11,16H,7,12-15,17H2,1-2H3,(H,22,24)
InChIKeyBCSQCSVJAIFRRN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.42
Rot. Bonds11

About 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide

3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide (PubChem CID 87022215) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
PubChem CID87022215
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
SMILESCOCCCN(CCOC)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H28N2O3/c1-25-14-7-12-23(13-15-26-2)17-18-8-6-9-19(16-18)21(24)22-20-10-4-3-5-11-20/h3-6,8-11,16H,7,12-15,17H2,1-2H3,(H,22,24)
InChIKeyBCSQCSVJAIFRRN-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.42
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

3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-[(3-chlorophenyl)methyl-(3-methoxypropyl)amino]propanoic acid
CID 82327680
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
CID 61035373
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
3-[2-[3-methoxypropyl(methyl)amino]ethyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 134448310
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
3-[[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122028958

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide (CID 87022215) is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide is COCCCN(CCOC)Cc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide?
The InChIKey is BCSQCSVJAIFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-14-7-12-23(13-15-26-2)17-18-8-6-9-19(16-18)21(24)22-20-10-4-3-5-11-20/h3-6,8-11,16H,7,12-15,17H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide?
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 87022215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).