N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide

C10H19BrN2O4 — CID 90261180

IUPACN-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
SMILESCCOCCOCC(=O)NCCNC(=O)CBr
InChIInChI=1S/C10H19BrN2O4/c1-2-16-5-6-17-8-10(15)13-4-3-12-9(14)7-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyGJKXUIOQHCBUKV-UHFFFAOYSA-N
MW311.18 g/mol
LogP-0.33
Rot. Bonds10

About N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide

N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide (PubChem CID 90261180) has the molecular formula C10H19BrN2O4 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
PubChem CID90261180
Molecular FormulaC10H19BrN2O4
Molecular Weight311.18 g/mol
Exact Mass310.05
IUPAC NameN-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
SMILESCCOCCOCC(=O)NCCNC(=O)CBr
InChIInChI=1S/C10H19BrN2O4/c1-2-16-5-6-17-8-10(15)13-4-3-12-9(14)7-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyGJKXUIOQHCBUKV-UHFFFAOYSA-N
XLogP-0.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
2-(2-ethoxyethoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430415
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
2-[(2-bromoacetyl)amino]ethyl 3-ethoxypropanoate
CID 175461196
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide?
The IUPAC name of N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide (CID 90261180) is N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide.
What is the SMILES notation for N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide?
The canonical SMILES for N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide is CCOCCOCC(=O)NCCNC(=O)CBr.
What is the InChIKey of N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide?
The InChIKey is GJKXUIOQHCBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O4/c1-2-16-5-6-17-8-10(15)13-4-3-12-9(14)7-11/h2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide?
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide has a molecular weight of 311.18 g/mol, XLogP of -0.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide is sourced from PubChem (CID 90261180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).