N-(1-bromopropan-2-yl)-2-cycloheptylacetamide

C12H22BrNO — CID 114459087

IUPACN-(1-bromopropan-2-yl)-2-cycloheptylacetamide
SMILESCC(CBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C12H22BrNO/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyREHPQHGNILAGOG-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.25
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2-cycloheptylacetamide

N-(1-bromopropan-2-yl)-2-cycloheptylacetamide (PubChem CID 114459087) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-cycloheptylacetamide
PubChem CID114459087
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(1-bromopropan-2-yl)-2-cycloheptylacetamide
SMILESCC(CBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C12H22BrNO/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyREHPQHGNILAGOG-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.25
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

N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-cycloheptylacetamide (CID 114459087) is N-(1-bromopropan-2-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-cycloheptylacetamide is CC(CBr)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-cycloheptylacetamide?
The InChIKey is REHPQHGNILAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(1-bromopropan-2-yl)-2-cycloheptylacetamide?
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide has a molecular weight of 276.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 114459087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).