2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide

C14H22N2O3 — CID 67629600

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide
SMILESCCNC(=O)C(OC)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-3-15-13(18)14(19-2)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,14,17H,3,9-11H2,1-2H3,(H,15,18)
InChIKeyGRVKLZSOUYTFQV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds8

About 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide

2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide (PubChem CID 67629600) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide
PubChem CID67629600
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide
SMILESCCNC(=O)C(OC)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-3-15-13(18)14(19-2)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,14,17H,3,9-11H2,1-2H3,(H,15,18)
InChIKeyGRVKLZSOUYTFQV-UHFFFAOYSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
CID 10913976
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide
CID 71091237
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide (CID 67629600) is 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide is CCNC(=O)C(OC)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide?
The InChIKey is GRVKLZSOUYTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-15-13(18)14(19-2)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,14,17H,3,9-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide is sourced from PubChem (CID 67629600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).