N-(5-chloropentyl)-3-(oxan-2-yl)propanamide

C13H24ClNO2 — CID 107321014

IUPACN-(5-chloropentyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCl
InChIInChI=1S/C13H24ClNO2/c14-9-3-1-4-10-15-13(16)8-7-12-6-2-5-11-17-12/h12H,1-11H2,(H,15,16)
InChIKeyZAMATUBIVODEJS-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.86
Rot. Bonds8

About N-(5-chloropentyl)-3-(oxan-2-yl)propanamide

N-(5-chloropentyl)-3-(oxan-2-yl)propanamide (PubChem CID 107321014) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-(oxan-2-yl)propanamide
PubChem CID107321014
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(5-chloropentyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCl
InChIInChI=1S/C13H24ClNO2/c14-9-3-1-4-10-15-13(16)8-7-12-6-2-5-11-17-12/h12H,1-11H2,(H,15,16)
InChIKeyZAMATUBIVODEJS-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
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-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(5-chloropentyl)-3-(oxan-2-yl)propanamide (CID 107321014) is N-(5-chloropentyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(5-chloropentyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(5-chloropentyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-3-(oxan-2-yl)propanamide?
The InChIKey is ZAMATUBIVODEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c14-9-3-1-4-10-15-13(16)8-7-12-6-2-5-11-17-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(5-chloropentyl)-3-(oxan-2-yl)propanamide?
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide has a molecular weight of 261.79 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107321014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).