N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide

C24H29N3O2 — CID 139227627

IUPACN-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)Nc1ccccc1C(=O)N2NC(=O)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)18-13-15-24(16-14-18)25-20-12-8-7-11-19(20)22(29)27(24)26-21(28)17-9-5-4-6-10-17/h4-12,18,25H,13-16H2,1-3H3,(H,26,28)
InChIKeyNEEJUOIQPCABEN-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.83
Rot. Bonds2

About N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide

N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide (PubChem CID 139227627) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide.

Molecular Properties

Compound NameN-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide
PubChem CID139227627
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)Nc1ccccc1C(=O)N2NC(=O)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)18-13-15-24(16-14-18)25-20-12-8-7-11-19(20)22(29)27(24)26-21(28)17-9-5-4-6-10-17/h4-12,18,25H,13-16H2,1-3H3,(H,26,28)
InChIKeyNEEJUOIQPCABEN-UHFFFAOYSA-N
XLogP4.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetyl-8-tert-butyl-1-(4-chlorophenyl)-1,2,4-triazaspiro[4.5]dec-2-en-4-yl]benzamide
CID 10917636
2-(4-tert-butyl-1-methylselanylcyclohexyl)-1-phenylethanone
CID 11100236
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 4574683
4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 599923
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
(9-tert-butyl-4-oxospiro[4.5]decan-3-yl) benzoate
CID 102504833
N-(4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 140849838
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 4258553
4-[(1R)-1-(8-tert-butyl-2-cyclohexylimino-3-oxo-1,4-diazaspiro[4.5]decan-4-yl)-4,4-dimethylpentyl]benzoic acid
CID 136608054

Frequently Asked Questions

What is the IUPAC name of N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide?
The IUPAC name of N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide (CID 139227627) is N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide.
What is the SMILES notation for N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide?
The canonical SMILES for N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide is CC(C)(C)C1CCC2(CC1)Nc1ccccc1C(=O)N2NC(=O)c1ccccc1.
What is the InChIKey of N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide?
The InChIKey is NEEJUOIQPCABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-23(2,3)18-13-15-24(16-14-18)25-20-12-8-7-11-19(20)22(29)27(24)26-21(28)17-9-5-4-6-10-17/h4-12,18,25H,13-16H2,1-3H3,(H,26,28).
What are the key properties of N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide?
N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide has a molecular weight of 391.51 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4'-tert-butyl-4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)benzamide is sourced from PubChem (CID 139227627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).