2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide

C12H22BrNO — CID 62854688

IUPAC2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide
SMILESCCC(Br)C(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H22BrNO/c1-4-11(13)12(15)14(10-5-6-10)8-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQSZJWNXIGJTISE-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.20
Rot. Bonds6

About 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide

2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide (PubChem CID 62854688) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide
PubChem CID62854688
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide
SMILESCCC(Br)C(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H22BrNO/c1-4-11(13)12(15)14(10-5-6-10)8-7-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQSZJWNXIGJTISE-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.20
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-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
5-amino-N-cyclopentyl-2-methyl-N-(3-methylbutyl)pentanamide
CID 104685340
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide (CID 62854688) is 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide is CCC(Br)C(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide?
The InChIKey is QSZJWNXIGJTISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-4-11(13)12(15)14(10-5-6-10)8-7-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide?
2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide has a molecular weight of 276.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 62854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).