N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide

C18H25NO3 — CID 11358583

IUPACN-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide
SMILESO=C(CCC1CCCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C18H25NO3/c20-17(19-14-15-6-2-1-3-7-15)10-9-16-8-4-5-11-18(16)21-12-13-22-18/h1-3,6-7,16H,4-5,8-14H2,(H,19,20)
InChIKeyIPDJWHLFTXMPCH-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.02
Rot. Bonds5

About N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide

N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide (PubChem CID 11358583) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide
PubChem CID11358583
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide
SMILESO=C(CCC1CCCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C18H25NO3/c20-17(19-14-15-6-2-1-3-7-15)10-9-16-8-4-5-11-18(16)21-12-13-22-18/h1-3,6-7,16H,4-5,8-14H2,(H,19,20)
InChIKeyIPDJWHLFTXMPCH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3-phenylpropanamide
CID 18583799
N-benzyl-2-(1,4-dioxaspiro[4.5]dec-6-yl)acetamide
CID 11266241
2-(1,4-dioxaspiro[4.5]dec-6-yl)-N-(1-phenylethyl)acetamide
CID 86002440
N-[2-(3-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-6-carboxamide
CID 57705297
Benzyl[3-(1,4-dioxaspiro[4.5]dec-6-yl)propyl]amine
CID 11219980
Benzyl[2-(1,4-dioxaspiro[4.5]dec-6-yl)ethyl]amine
CID 11288874
N-benzyl-3-(1,4-dioxaspiro[4.4]non-6-yl)propionamide
CID 11369751
N-benzyl-2-(1,4-dioxaspiro[4.4]non-6-yl)acetamide
CID 11391707
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide
CID 71981912
2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide
CID 71981914
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide
CID 99775306
N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112522483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide?
The IUPAC name of N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide (CID 11358583) is N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide?
The canonical SMILES for N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide is O=C(CCC1CCCCC12OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide?
The InChIKey is IPDJWHLFTXMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(19-14-15-6-2-1-3-7-15)10-9-16-8-4-5-11-18(16)21-12-13-22-18/h1-3,6-7,16H,4-5,8-14H2,(H,19,20).
What are the key properties of N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide?
N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,4-dioxaspiro[4.5]decan-6-yl)propanamide is sourced from PubChem (CID 11358583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).