N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide

C20H34N4O — CID 45245336

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide
SMILESCN(C)CCCC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C20H34N4O/c1-19(2,3)18-21-13-14-15(11-20(4,5)12-16(14)23-18)22-17(25)9-8-10-24(6)7/h13,15H,8-12H2,1-7H3,(H,22,25)
InChIKeyXZUQSSVDEKPWCE-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.25
Rot. Bonds5

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide (PubChem CID 45245336) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide
PubChem CID45245336
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide
SMILESCN(C)CCCC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C20H34N4O/c1-19(2,3)18-21-13-14-15(11-20(4,5)12-16(14)23-18)22-17(25)9-8-10-24(6)7/h13,15H,8-12H2,1-7H3,(H,22,25)
InChIKeyXZUQSSVDEKPWCE-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide (CID 45245336) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide is CN(C)CCCC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide?
The InChIKey is XZUQSSVDEKPWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-19(2,3)18-21-13-14-15(11-20(4,5)12-16(14)23-18)22-17(25)9-8-10-24(6)7/h13,15H,8-12H2,1-7H3,(H,22,25).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide has a molecular weight of 346.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(dimethylamino)butanamide is sourced from PubChem (CID 45245336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).