6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide

C11H20BrN3O3 — CID 134550363

IUPAC6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
SMILESCNC(=O)CNC(=O)CCCCCNC(=O)CBr
InChIInChI=1S/C11H20BrN3O3/c1-13-11(18)8-15-9(16)5-3-2-4-6-14-10(17)7-12/h2-8H2,1H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyUACWGINQCMEEMO-UHFFFAOYSA-N
MW322.20 g/mol
LogP-0.08
Rot. Bonds9

About 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide

6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide (PubChem CID 134550363) has the molecular formula C11H20BrN3O3 and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
PubChem CID134550363
Molecular FormulaC11H20BrN3O3
Molecular Weight322.20 g/mol
Exact Mass321.07
IUPAC Name6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
SMILESCNC(=O)CNC(=O)CCCCCNC(=O)CBr
InChIInChI=1S/C11H20BrN3O3/c1-13-11(18)8-15-9(16)5-3-2-4-6-14-10(17)7-12/h2-8H2,1H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyUACWGINQCMEEMO-UHFFFAOYSA-N
XLogP-0.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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

ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The IUPAC name of 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide (CID 134550363) is 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The canonical SMILES for 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide is CNC(=O)CNC(=O)CCCCCNC(=O)CBr.
What is the InChIKey of 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The InChIKey is UACWGINQCMEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O3/c1-13-11(18)8-15-9(16)5-3-2-4-6-14-10(17)7-12/h2-8H2,1H3,(H,13,18)(H,14,17)(H,15,16).
What are the key properties of 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide?
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide has a molecular weight of 322.20 g/mol, XLogP of -0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide is sourced from PubChem (CID 134550363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).