2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C10H19BrN2O2 — CID 114328087

IUPAC2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-7(2)12-8(14)6-13(5)9(15)10(3,4)11/h7H,6H2,1-5H3,(H,12,14)
InChIKeyWTSOULAKFVTYFS-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.14
Rot. Bonds4

About 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 114328087) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID114328087
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-7(2)12-8(14)6-13(5)9(15)10(3,4)11/h7H,6H2,1-5H3,(H,12,14)
InChIKeyWTSOULAKFVTYFS-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 114328087) is 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=O)CN(C)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is WTSOULAKFVTYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-7(2)12-8(14)6-13(5)9(15)10(3,4)11/h7H,6H2,1-5H3,(H,12,14).
What are the key properties of 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 279.18 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 114328087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).