N,N-diethyl-3-(oxiran-2-yl)propanamide

C9H17NO2 — CID 15189795

IUPACN,N-diethyl-3-(oxiran-2-yl)propanamide
SMILESCCN(CC)C(=O)CCC1CO1
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(11)6-5-8-7-12-8/h8H,3-7H2,1-2H3
InChIKeyUJFSIKNVPVKNCT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds5

About N,N-diethyl-3-(oxiran-2-yl)propanamide

N,N-diethyl-3-(oxiran-2-yl)propanamide (PubChem CID 15189795) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-diethyl-3-(oxiran-2-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(oxiran-2-yl)propanamide
PubChem CID15189795
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N-diethyl-3-(oxiran-2-yl)propanamide
SMILESCCN(CC)C(=O)CCC1CO1
InChIInChI=1S/C9H17NO2/c1-3-10(4-2)9(11)6-5-8-7-12-8/h8H,3-7H2,1-2H3
InChIKeyUJFSIKNVPVKNCT-UHFFFAOYSA-N
XLogP1.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(oxiran-2-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(oxiran-2-yl)propanamide (CID 15189795) is N,N-diethyl-3-(oxiran-2-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(oxiran-2-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(oxiran-2-yl)propanamide is CCN(CC)C(=O)CCC1CO1.
What is the InChIKey of N,N-diethyl-3-(oxiran-2-yl)propanamide?
The InChIKey is UJFSIKNVPVKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(4-2)9(11)6-5-8-7-12-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-3-(oxiran-2-yl)propanamide?
N,N-diethyl-3-(oxiran-2-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(oxiran-2-yl)propanamide is sourced from PubChem (CID 15189795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).