N-[5-(oxiran-2-yl)pentyl]propanamide

C10H19NO2 — CID 143590768

IUPACN-[5-(oxiran-2-yl)pentyl]propanamide
SMILESCCC(=O)NCCCCCC1CO1
InChIInChI=1S/C10H19NO2/c1-2-10(12)11-7-5-3-4-6-9-8-13-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyUHNLNHGEAQGLIH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds7

About N-[5-(oxiran-2-yl)pentyl]propanamide

N-[5-(oxiran-2-yl)pentyl]propanamide (PubChem CID 143590768) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[5-(oxiran-2-yl)pentyl]propanamide.

Molecular Properties

Compound NameN-[5-(oxiran-2-yl)pentyl]propanamide
PubChem CID143590768
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[5-(oxiran-2-yl)pentyl]propanamide
SMILESCCC(=O)NCCCCCC1CO1
InChIInChI=1S/C10H19NO2/c1-2-10(12)11-7-5-3-4-6-9-8-13-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyUHNLNHGEAQGLIH-UHFFFAOYSA-N
XLogP1.47
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
CID 118147117
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
11-(propanoylamino)undecanamide
CID 89244012
ethane;methanethiol;N-nonylpropanamide
CID 177150000
N-(12-oxotridecyl)propanamide
CID 171540592
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-octadecyloxirane
CID 98043533

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxiran-2-yl)pentyl]propanamide?
The IUPAC name of N-[5-(oxiran-2-yl)pentyl]propanamide (CID 143590768) is N-[5-(oxiran-2-yl)pentyl]propanamide.
What is the SMILES notation for N-[5-(oxiran-2-yl)pentyl]propanamide?
The canonical SMILES for N-[5-(oxiran-2-yl)pentyl]propanamide is CCC(=O)NCCCCCC1CO1.
What is the InChIKey of N-[5-(oxiran-2-yl)pentyl]propanamide?
The InChIKey is UHNLNHGEAQGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(12)11-7-5-3-4-6-9-8-13-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[5-(oxiran-2-yl)pentyl]propanamide?
N-[5-(oxiran-2-yl)pentyl]propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxiran-2-yl)pentyl]propanamide is sourced from PubChem (CID 143590768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).