N-(4-bromocyclohexyl)-2-methylpropanamide

C10H18BrNO — CID 114309031

IUPACN-(4-bromocyclohexyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyBWGPCVRWWMLGDH-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.46
Rot. Bonds2

About N-(4-bromocyclohexyl)-2-methylpropanamide

N-(4-bromocyclohexyl)-2-methylpropanamide (PubChem CID 114309031) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-methylpropanamide
PubChem CID114309031
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-(4-bromocyclohexyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyBWGPCVRWWMLGDH-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-(4-bromocyclohexyl)-2-ethylbutanamide
CID 114309036
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-methylpropanamide (CID 114309031) is N-(4-bromocyclohexyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-methylpropanamide is CC(C)C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-methylpropanamide?
The InChIKey is BWGPCVRWWMLGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromocyclohexyl)-2-methylpropanamide?
N-(4-bromocyclohexyl)-2-methylpropanamide has a molecular weight of 248.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 114309031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).