N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide

C18H25NO3 — CID 18583799

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)
InChIKeyOMMYVDOEBRSPHR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds5

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide (PubChem CID 18583799) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide
PubChem CID18583799
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)
InChIKeyOMMYVDOEBRSPHR-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide (CID 18583799) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide?
The InChIKey is OMMYVDOEBRSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 18583799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).