N-[2-(1,3-dioxan-2-yl)ethyl]propanamide

C9H17NO3 — CID 110370043

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1OCCCO1
InChIInChI=1S/C9H17NO3/c1-2-8(11)10-5-4-9-12-6-3-7-13-9/h9H,2-7H2,1H3,(H,10,11)
InChIKeyRCCPEDQYWLUMJE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.67
Rot. Bonds4

About N-[2-(1,3-dioxan-2-yl)ethyl]propanamide

N-[2-(1,3-dioxan-2-yl)ethyl]propanamide (PubChem CID 110370043) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]propanamide
PubChem CID110370043
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1OCCCO1
InChIInChI=1S/C9H17NO3/c1-2-8(11)10-5-4-9-12-6-3-7-13-9/h9H,2-7H2,1H3,(H,10,11)
InChIKeyRCCPEDQYWLUMJE-UHFFFAOYSA-N
XLogP0.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]propanamide (CID 110370043) is N-[2-(1,3-dioxan-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]propanamide is CCC(=O)NCCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]propanamide?
The InChIKey is RCCPEDQYWLUMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(11)10-5-4-9-12-6-3-7-13-9/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]propanamide?
N-[2-(1,3-dioxan-2-yl)ethyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110370043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).