N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide

C18H25NO3 — CID 124754927

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)N[C@H]1COC2(CCCCC2)C1
InChIInChI=1S/C18H25NO3/c20-17(9-12-21-16-7-3-1-4-8-16)19-15-13-18(22-14-15)10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,19,20)/t15-/m1/s1
InChIKeyPFMRKDFAZCLTOX-OAHLLOKOSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds5

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide (PubChem CID 124754927) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
PubChem CID124754927
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)N[C@H]1COC2(CCCCC2)C1
InChIInChI=1S/C18H25NO3/c20-17(9-12-21-16-7-3-1-4-8-16)19-15-13-18(22-14-15)10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,19,20)/t15-/m1/s1
InChIKeyPFMRKDFAZCLTOX-OAHLLOKOSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 118763452
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
1-methyl-3-[(3R)-1-oxaspiro[4.5]decan-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126431485
1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 121499432
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
CID 124752869
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide (CID 124754927) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)N[C@H]1COC2(CCCCC2)C1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide?
The InChIKey is PFMRKDFAZCLTOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(9-12-21-16-7-3-1-4-8-16)19-15-13-18(22-14-15)10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 124754927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).