N-(2-acetamidoethyl)-2-bromopropanamide

C7H13BrN2O2 — CID 82110777

IUPACN-(2-acetamidoethyl)-2-bromopropanamide
SMILESCC(=O)NCCNC(=O)C(C)Br
InChIInChI=1S/C7H13BrN2O2/c1-5(8)7(12)10-4-3-9-6(2)11/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPJVNZJJZHRKJHD-UHFFFAOYSA-N
MW237.10 g/mol
LogP0.02
Rot. Bonds4

About N-(2-acetamidoethyl)-2-bromopropanamide

N-(2-acetamidoethyl)-2-bromopropanamide (PubChem CID 82110777) has the molecular formula C7H13BrN2O2 and a molecular weight of 237.10 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-bromopropanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-bromopropanamide
PubChem CID82110777
Molecular FormulaC7H13BrN2O2
Molecular Weight237.10 g/mol
Exact Mass236.02
IUPAC NameN-(2-acetamidoethyl)-2-bromopropanamide
SMILESCC(=O)NCCNC(=O)C(C)Br
InChIInChI=1S/C7H13BrN2O2/c1-5(8)7(12)10-4-3-9-6(2)11/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPJVNZJJZHRKJHD-UHFFFAOYSA-N
XLogP0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-N-(3-fluoropropyl)propanamide
CID 130503981
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-bromo-N-but-3-enylpropanamide
CID 107905743
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
N-(3-acetamidopropyl)acetamide
CID 5147555
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 82110412
2-bromo-N-hex-5-ynylpropanamide
CID 106211130

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-bromopropanamide?
The IUPAC name of N-(2-acetamidoethyl)-2-bromopropanamide (CID 82110777) is N-(2-acetamidoethyl)-2-bromopropanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-bromopropanamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-bromopropanamide is CC(=O)NCCNC(=O)C(C)Br.
What is the InChIKey of N-(2-acetamidoethyl)-2-bromopropanamide?
The InChIKey is PJVNZJJZHRKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2/c1-5(8)7(12)10-4-3-9-6(2)11/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-acetamidoethyl)-2-bromopropanamide?
N-(2-acetamidoethyl)-2-bromopropanamide has a molecular weight of 237.10 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-bromopropanamide is sourced from PubChem (CID 82110777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).