N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C17H30BrNO — CID 107157845

IUPACN-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30BrNO/c1-12(2)9-16(18)11-19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h12-16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFZJIVHARYZKGEV-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.52
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 107157845) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID107157845
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC NameN-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30BrNO/c1-12(2)9-16(18)11-19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h12-16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFZJIVHARYZKGEV-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.52
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-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 114504183
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106356963
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 107157845) is N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CC(C)CC(Br)CNC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is FZJIVHARYZKGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c1-12(2)9-16(18)11-19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h12-16H,3-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).