3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

C23H28N2O3 — CID 109028432

IUPAC3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCN(Cc1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H28N2O3/c26-22(24-15-12-23(13-16-24)27-17-18-28-23)11-14-25(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-10H,11-19H2
InChIKeyPOZUVTLWMDBZIP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.45
Rot. Bonds6

About 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 109028432) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID109028432
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCN(Cc1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H28N2O3/c26-22(24-15-12-23(13-16-24)27-17-18-28-23)11-14-25(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-10H,11-19H2
InChIKeyPOZUVTLWMDBZIP-UHFFFAOYSA-N
XLogP3.45
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113138654
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 4045038
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 113138786
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]isoindole-1,3-dione
CID 5083053
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(2-fluorophenyl)methanesulfonamide
CID 113143438

Frequently Asked Questions

What is the IUPAC name of 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 109028432) is 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is O=C(CCN(Cc1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is POZUVTLWMDBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(24-15-12-23(13-16-24)27-17-18-28-23)11-14-25(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-10H,11-19H2.
What are the key properties of 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 109028432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).