4-bromo-N,N-di(propan-2-yl)butanamide

C10H20BrNO — CID 23249395

IUPAC4-bromo-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCBr)C(C)C
InChIInChI=1S/C10H20BrNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3
InChIKeyVFMQHMYCAMWKIB-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds5

About 4-bromo-N,N-di(propan-2-yl)butanamide

4-bromo-N,N-di(propan-2-yl)butanamide (PubChem CID 23249395) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-bromo-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name4-bromo-N,N-di(propan-2-yl)butanamide
PubChem CID23249395
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-bromo-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCBr)C(C)C
InChIInChI=1S/C10H20BrNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3
InChIKeyVFMQHMYCAMWKIB-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-N,N-dibutylacetamide
CID 3016161
N,N-di(propan-2-yl)butanamide
CID 436861
2-Bromo-N,N-diisopropylacetamide
CID 10900191
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
3-bromo-N-ethyl-N-methylpropanamide
CID 104190263
3-Bromo-n,n-diethylpropanamide
CID 226112
Pentanamide, N,N-dibutyl-5-bromo-
CID 532964
N-Methyl-N-(1-methylethyl)butanamide
CID 547025
Bromobutanoic acid diiso propylamide
CID 13036616
delta-Bromopentanoic acid diisopropylamide
CID 85997988
Bromopentanoic acid diisopropylamide
CID 129801616
2,2-dibromon,N-diisopropylpropanamide
CID 145722132

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 4-bromo-N,N-di(propan-2-yl)butanamide (CID 23249395) is 4-bromo-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 4-bromo-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 4-bromo-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)CCCBr)C(C)C.
What is the InChIKey of 4-bromo-N,N-di(propan-2-yl)butanamide?
The InChIKey is VFMQHMYCAMWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8(2)12(9(3)4)10(13)6-5-7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-bromo-N,N-di(propan-2-yl)butanamide?
4-bromo-N,N-di(propan-2-yl)butanamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 23249395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).