4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide

C24H30N2O3 — CID 112984216

IUPAC4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC4(CC3)OCCO4)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)19-6-4-18(5-7-19)22(27)25-20-8-10-21(11-9-20)26-14-12-24(13-15-26)28-16-17-29-24/h4-11H,12-17H2,1-3H3,(H,25,27)
InChIKeyOTRGAHNDDVXFBW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.58
Rot. Bonds3

About 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide

4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide (PubChem CID 112984216) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
PubChem CID112984216
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC4(CC3)OCCO4)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)19-6-4-18(5-7-19)22(27)25-20-8-10-21(11-9-20)26-14-12-24(13-15-26)28-16-17-29-24/h4-11H,12-17H2,1-3H3,(H,25,27)
InChIKeyOTRGAHNDDVXFBW-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261675
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide (CID 112984216) is 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC4(CC3)OCCO4)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide?
The InChIKey is OTRGAHNDDVXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2,3)19-6-4-18(5-7-19)22(27)25-20-8-10-21(11-9-20)26-14-12-24(13-15-26)28-16-17-29-24/h4-11H,12-17H2,1-3H3,(H,25,27).
What are the key properties of 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide?
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide is sourced from PubChem (CID 112984216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).