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

C18H30N4O — CID 45202946

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C18H30N4O/c1-17(2,3)16-19-10-12-13(20-15(23)11-22(6)7)8-18(4,5)9-14(12)21-16/h10,13H,8-9,11H2,1-7H3,(H,20,23)
InChIKeyQTIHKEKALCAHGY-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.47
Rot. Bonds3

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

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide (PubChem CID 45202946) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide
PubChem CID45202946
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C18H30N4O/c1-17(2,3)16-19-10-12-13(20-15(23)11-22(6)7)8-18(4,5)9-14(12)21-16/h10,13H,8-9,11H2,1-7H3,(H,20,23)
InChIKeyQTIHKEKALCAHGY-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.47
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)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide (CID 45202946) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide is CN(C)CC(=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)-2-(dimethylamino)acetamide?
The InChIKey is QTIHKEKALCAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-17(2,3)16-19-10-12-13(20-15(23)11-22(6)7)8-18(4,5)9-14(12)21-16/h10,13H,8-9,11H2,1-7H3,(H,20,23).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(dimethylamino)acetamide has a molecular weight of 318.47 g/mol, XLogP of 2.47, 3 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)-2-(dimethylamino)acetamide is sourced from PubChem (CID 45202946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).