N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide

C13H26N2O2 — CID 113340869

IUPACN-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(CO)CCCNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(11-16)5-4-7-14-13(17)6-10-15-8-2-3-9-15/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyASEDIASEGAKYBX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide

N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 113340869) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID113340869
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(CO)CCCNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(11-16)5-4-7-14-13(17)6-10-15-8-2-3-9-15/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyASEDIASEGAKYBX-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
CID 167209930
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide
CID 166830249
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
5-methyl-N-octyl-6-piperidin-1-ylhexanamide
CID 166830239
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide (CID 113340869) is N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide is CC(CO)CCCNC(=O)CCN1CCCC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is ASEDIASEGAKYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(11-16)5-4-7-14-13(17)6-10-15-8-2-3-9-15/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide?
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 113340869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).