N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide

C17H28ClNO — CID 106156810

IUPACN-(5-chloro-4-methylpentyl)adamantane-2-carboxamide
SMILESCC(CCl)CCCNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28ClNO/c1-11(10-18)3-2-4-19-17(20)16-14-6-12-5-13(8-14)9-15(16)7-12/h11-16H,2-10H2,1H3,(H,19,20)
InChIKeyLSPMINWYFSYXDO-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.83
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide

N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide (PubChem CID 106156810) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)adamantane-2-carboxamide
PubChem CID106156810
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-(5-chloro-4-methylpentyl)adamantane-2-carboxamide
SMILESCC(CCl)CCCNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28ClNO/c1-11(10-18)3-2-4-19-17(20)16-14-6-12-5-13(8-14)9-15(16)7-12/h11-16H,2-10H2,1H3,(H,19,20)
InChIKeyLSPMINWYFSYXDO-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)adamantane-2-carboxamide
CID 81095692
N-propyladamantane-2-carboxamide
CID 78913673
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
CID 75416660
N-[5-(4-methylpiperazin-1-yl)pentyl]adamantane-2-carboxamide
CID 110445464
N-(5-chloro-4-methylpentyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106157071
3-[(5-hydroxy-4-methylpentyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106155572
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
CID 113273452
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide (CID 106156810) is N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide is CC(CCl)CCCNC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide?
The InChIKey is LSPMINWYFSYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-11(10-18)3-2-4-19-17(20)16-14-6-12-5-13(8-14)9-15(16)7-12/h11-16H,2-10H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide?
N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide has a molecular weight of 297.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide is sourced from PubChem (CID 106156810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).