4-(2-bromobutanoylamino)cyclohexane-1-carboxamide

C11H19BrN2O2 — CID 62854482

IUPAC4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
SMILESCCC(Br)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19BrN2O2/c1-2-9(12)11(16)14-8-5-3-7(4-6-8)10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIBABKYTWGPRBON-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.32
Rot. Bonds4

About 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide

4-(2-bromobutanoylamino)cyclohexane-1-carboxamide (PubChem CID 62854482) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
PubChem CID62854482
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
SMILESCCC(Br)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19BrN2O2/c1-2-9(12)11(16)14-8-5-3-7(4-6-8)10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIBABKYTWGPRBON-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
CID 80542023
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
CID 62363981
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484
cyclopropanecarboxamide;propanamide
CID 174752815
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
N-(2-adamantyl)-2-bromobutanamide
CID 62856671

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide (CID 62854482) is 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide is CCC(Br)C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide?
The InChIKey is IBABKYTWGPRBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-2-9(12)11(16)14-8-5-3-7(4-6-8)10(13)15/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide?
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide has a molecular weight of 291.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 62854482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).