2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide

C10H19BrN2O2 — CID 79082924

IUPAC2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCCC(Br)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C10H19BrN2O2/c1-3-9(11)10(14)12-6-8-7-13(2)4-5-15-8/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyKLYRLWGQVKRBLM-UHFFFAOYSA-N
MW279.18 g/mol
LogP0.61
Rot. Bonds4

About 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide

2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide (PubChem CID 79082924) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
PubChem CID79082924
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCCC(Br)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C10H19BrN2O2/c1-3-9(11)10(14)12-6-8-7-13(2)4-5-15-8/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyKLYRLWGQVKRBLM-UHFFFAOYSA-N
XLogP0.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
CID 103255442
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The IUPAC name of 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide (CID 79082924) is 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The canonical SMILES for 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide is CCC(Br)C(=O)NCC1CN(C)CCO1.
What is the InChIKey of 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The InChIKey is KLYRLWGQVKRBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-3-9(11)10(14)12-6-8-7-13(2)4-5-15-8/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide has a molecular weight of 279.18 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide is sourced from PubChem (CID 79082924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).