N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide

C16H31N3O5 — CID 167096270

IUPACN-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)NCCNC(=O)CCOCCOCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H31N3O5/c1-13(20)17-6-7-18-14(21)5-9-23-11-12-24-10-8-19-15(22)16(2,3)4/h5-12H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyIEXDQBUKMWZFOI-UHFFFAOYSA-N
MW345.44 g/mol
LogP-0.18
Rot. Bonds12

About N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide

N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide (PubChem CID 167096270) has the molecular formula C16H31N3O5 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
PubChem CID167096270
Molecular FormulaC16H31N3O5
Molecular Weight345.44 g/mol
Exact Mass345.23
IUPAC NameN-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)NCCNC(=O)CCOCCOCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H31N3O5/c1-13(20)17-6-7-18-14(21)5-9-23-11-12-24-10-8-19-15(22)16(2,3)4/h5-12H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyIEXDQBUKMWZFOI-UHFFFAOYSA-N
XLogP-0.18
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
3-[2-acetamido-3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171599700
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide (CID 167096270) is N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide is CC(=O)NCCNC(=O)CCOCCOCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
The InChIKey is IEXDQBUKMWZFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O5/c1-13(20)17-6-7-18-14(21)5-9-23-11-12-24-10-8-19-15(22)16(2,3)4/h5-12H2,1-4H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide has a molecular weight of 345.44 g/mol, XLogP of -0.18, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167096270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).