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

C20H30N2O3 — CID 109028387

IUPAC3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(C)(C)c1ccc(NCCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)16-4-6-17(7-5-16)21-11-8-18(23)22-12-9-20(10-13-22)24-14-15-25-20/h4-7,21H,8-15H2,1-3H3
InChIKeyJBVZRGQNHYFOCA-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.15
Rot. Bonds4

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

3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 109028387) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID109028387
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(C)(C)c1ccc(NCCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)16-4-6-17(7-5-16)21-11-8-18(23)22-12-9-20(10-13-22)24-14-15-25-20/h4-7,21H,8-15H2,1-3H3
InChIKeyJBVZRGQNHYFOCA-UHFFFAOYSA-N
XLogP3.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one with MolForge

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 110413051
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109028466
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
3-(2,4-dimethoxyanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028411
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
1-(4-acetylpiperazin-1-yl)-3-(4-bromoanilino)propan-1-one
CID 109018200
2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003341
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyldiazirin-3-yl)propan-1-one
CID 172882467

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 109028387) is 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is CC(C)(C)c1ccc(NCCC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is JBVZRGQNHYFOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2,3)16-4-6-17(7-5-16)21-11-8-18(23)22-12-9-20(10-13-22)24-14-15-25-20/h4-7,21H,8-15H2,1-3H3.
What are the key properties of 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 109028387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).