N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide

C17H23NO3 — CID 11369751

IUPACN-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide
SMILESO=C(CCC1CCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-13-14-5-2-1-3-6-14)9-8-15-7-4-10-17(15)20-11-12-21-17/h1-3,5-6,15H,4,7-13H2,(H,18,19)
InChIKeySZWYFJVEFHARPL-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.63
Rot. Bonds5

About N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide

N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide (PubChem CID 11369751) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide
PubChem CID11369751
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide
SMILESO=C(CCC1CCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-13-14-5-2-1-3-6-14)9-8-15-7-4-10-17(15)20-11-12-21-17/h1-3,5-6,15H,4,7-13H2,(H,18,19)
InChIKeySZWYFJVEFHARPL-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
Benzyl[3-(1,4-dioxaspiro[4.4]non-6-yl)propyl]amine
CID 11231190
N-benzyl-3-(1,4-dioxaspiro[4.5]dec-6-yl)propionamide
CID 11358583
N-benzyl-2-(1,4-dioxaspiro[4.4]non-6-yl)acetamide
CID 11391707
Benzyl[2-(1,4-dioxaspiro[4.4]non-6-yl)ethyl]amine
CID 11470989
2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide
CID 71981914
N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112522483
N-[(3-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112528295
N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112528402
N-[2-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112529098
N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112529364

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide?
The IUPAC name of N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide (CID 11369751) is N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide?
The canonical SMILES for N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide is O=C(CCC1CCCC12OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide?
The InChIKey is SZWYFJVEFHARPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-13-14-5-2-1-3-6-14)9-8-15-7-4-10-17(15)20-11-12-21-17/h1-3,5-6,15H,4,7-13H2,(H,18,19).
What are the key properties of N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide?
N-benzyl-3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanamide has a molecular weight of 289.37 g/mol, XLogP of 2.63, 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[4.4]nonan-9-yl)propanamide is sourced from PubChem (CID 11369751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).