2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide

C17H35N3O6 — CID 143637317

IUPAC2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)(C)NCCOCCOCCOCCNC(=O)COCC(=O)CN
InChIInChI=1S/C17H35N3O6/c1-17(2,3)20-5-7-24-9-11-25-10-8-23-6-4-19-16(22)14-26-13-15(21)12-18/h20H,4-14,18H2,1-3H3,(H,19,22)
InChIKeyCFYDCKYTGDJEPO-UHFFFAOYSA-N
MW377.48 g/mol
LogP-0.92
Rot. Bonds17

About 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 143637317) has the molecular formula C17H35N3O6 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID143637317
Molecular FormulaC17H35N3O6
Molecular Weight377.48 g/mol
Exact Mass377.25
IUPAC Name2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)(C)NCCOCCOCCOCCNC(=O)COCC(=O)CN
InChIInChI=1S/C17H35N3O6/c1-17(2,3)20-5-7-24-9-11-25-10-8-23-6-4-19-16(22)14-26-13-15(21)12-18/h20H,4-14,18H2,1-3H3,(H,19,22)
InChIKeyCFYDCKYTGDJEPO-UHFFFAOYSA-N
XLogP-0.92
TPSA121.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
CID 58238700
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-(2-methoxyethoxy)-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-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-(3-amino-2-oxopropoxy)-N-methylacetamide
CID 59513074
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 143637317) is 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(C)(C)NCCOCCOCCOCCNC(=O)COCC(=O)CN.
What is the InChIKey of 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is CFYDCKYTGDJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O6/c1-17(2,3)20-5-7-24-9-11-25-10-8-23-6-4-19-16(22)14-26-13-15(21)12-18/h20H,4-14,18H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 377.48 g/mol, XLogP of -0.92, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 143637317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).