N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide

C17H26N2O4 — CID 108574844

IUPACN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-13(2)14-4-6-15(7-5-14)17(21)19-9-8-18-16(20)12-23-11-10-22-3/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZZUFFIKDYUYSHD-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.32
Rot. Bonds10

About N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide

N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide (PubChem CID 108574844) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
PubChem CID108574844
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-13(2)14-4-6-15(7-5-14)17(21)19-9-8-18-16(20)12-23-11-10-22-3/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZZUFFIKDYUYSHD-UHFFFAOYSA-N
XLogP1.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697
tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
CID 108570352
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542972
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide (CID 108574844) is N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide is COCCOCC(=O)NCCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide?
The InChIKey is ZZUFFIKDYUYSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(2)14-4-6-15(7-5-14)17(21)19-9-8-18-16(20)12-23-11-10-22-3/h4-7,13H,8-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide?
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108574844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).