3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide

C19H24N2O3 — CID 119814507

IUPAC3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCN(Cc1ccccc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C19H24N2O3/c1-23-12-13-24-11-10-21(15-16-6-3-2-4-7-16)19(22)17-8-5-9-18(20)14-17/h2-9,14H,10-13,15,20H2,1H3
InChIKeyOEUMKAWQOWCEPY-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.57
Rot. Bonds9

About 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide

3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide (PubChem CID 119814507) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
PubChem CID119814507
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCN(Cc1ccccc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C19H24N2O3/c1-23-12-13-24-11-10-21(15-16-6-3-2-4-7-16)19(22)17-8-5-9-18(20)14-17/h2-9,14H,10-13,15,20H2,1H3
InChIKeyOEUMKAWQOWCEPY-UHFFFAOYSA-N
XLogP2.57
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-benzyl-4-[(carbamoylamino)methyl]-N-(2-methoxyethyl)benzamide
CID 17419919
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride
CID 119341269
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
CID 28642596
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The IUPAC name of 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide (CID 119814507) is 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The canonical SMILES for 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide is COCCOCCN(Cc1ccccc1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The InChIKey is OEUMKAWQOWCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-12-13-24-11-10-21(15-16-6-3-2-4-7-16)19(22)17-8-5-9-18(20)14-17/h2-9,14H,10-13,15,20H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide is sourced from PubChem (CID 119814507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).