N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide

C15H29NO2 — CID 20549171

IUPACN-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCCCCCO)CCCC1C
InChIInChI=1S/C15H29NO2/c1-12(2)15(9-7-8-13(15)3)14(18)16-10-5-4-6-11-17/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyZLUVOIPGFFLPMO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds7

About N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide

N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 20549171) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID20549171
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCCCCCO)CCCC1C
InChIInChI=1S/C15H29NO2/c1-12(2)15(9-7-8-13(15)3)14(18)16-10-5-4-6-11-17/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyZLUVOIPGFFLPMO-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide (CID 20549171) is N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCCCCCO)CCCC1C.
What is the InChIKey of N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is ZLUVOIPGFFLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)15(9-7-8-13(15)3)14(18)16-10-5-4-6-11-17/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide?
N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 20549171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).