2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide

C8H15BrN2O3 — CID 82108968

IUPAC2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C8H15BrN2O3/c1-14-4-2-3-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyMBTRNHUIYZHOSC-UHFFFAOYSA-N
MW267.12 g/mol
LogP-0.35
Rot. Bonds7

About 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide

2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 82108968) has the molecular formula C8H15BrN2O3 and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID82108968
Molecular FormulaC8H15BrN2O3
Molecular Weight267.12 g/mol
Exact Mass266.03
IUPAC Name2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C8H15BrN2O3/c1-14-4-2-3-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyMBTRNHUIYZHOSC-UHFFFAOYSA-N
XLogP-0.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide (CID 82108968) is 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(=O)CBr.
What is the InChIKey of 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is MBTRNHUIYZHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O3/c1-14-4-2-3-10-8(13)6-11-7(12)5-9/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide?
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 267.12 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 82108968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).