4-(5-bromopentanoylamino)cyclohexane-1-carboxamide

C12H21BrN2O2 — CID 107908592

IUPAC4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)CCCCBr)CC1
InChIInChI=1S/C12H21BrN2O2/c13-8-2-1-3-11(16)15-10-6-4-9(5-7-10)12(14)17/h9-10H,1-8H2,(H2,14,17)(H,15,16)
InChIKeyROPQZNXDOGPHMY-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.71
Rot. Bonds6

About 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide

4-(5-bromopentanoylamino)cyclohexane-1-carboxamide (PubChem CID 107908592) has the molecular formula C12H21BrN2O2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
PubChem CID107908592
Molecular FormulaC12H21BrN2O2
Molecular Weight305.22 g/mol
Exact Mass304.08
IUPAC Name4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)CCCCBr)CC1
InChIInChI=1S/C12H21BrN2O2/c13-8-2-1-3-11(16)15-10-6-4-9(5-7-10)12(14)17/h9-10H,1-8H2,(H2,14,17)(H,15,16)
InChIKeyROPQZNXDOGPHMY-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
N,N'-dicyclopropyldecanediamide
CID 4668836
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 114014776
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
5-bromo-N-(3-hydroxycyclobutyl)pentanamide
CID 107910240
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide (CID 107908592) is 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NC(=O)CCCCBr)CC1.
What is the InChIKey of 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide?
The InChIKey is ROPQZNXDOGPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2/c13-8-2-1-3-11(16)15-10-6-4-9(5-7-10)12(14)17/h9-10H,1-8H2,(H2,14,17)(H,15,16).
What are the key properties of 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide?
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide has a molecular weight of 305.22 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 107908592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).