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

C17H28N4O — CID 72857480

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C17H28N4O/c1-16(2,3)15-19-9-11-12(20-14(22)10-18-6)7-17(4,5)8-13(11)21-15/h9,12,18H,7-8,10H2,1-6H3,(H,20,22)
InChIKeyPPDYHZQKMQWKSY-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.12
Rot. Bonds3

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

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide (PubChem CID 72857480) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide
PubChem CID72857480
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C17H28N4O/c1-16(2,3)15-19-9-11-12(20-14(22)10-18-6)7-17(4,5)8-13(11)21-15/h9,12,18H,7-8,10H2,1-6H3,(H,20,22)
InChIKeyPPDYHZQKMQWKSY-UHFFFAOYSA-N
XLogP2.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-(methylamino)acetamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide (CID 72857480) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide is CNCC(=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-(methylamino)acetamide?
The InChIKey is PPDYHZQKMQWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-16(2,3)15-19-9-11-12(20-14(22)10-18-6)7-17(4,5)8-13(11)21-15/h9,12,18H,7-8,10H2,1-6H3,(H,20,22).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(methylamino)acetamide has a molecular weight of 304.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 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-(methylamino)acetamide is sourced from PubChem (CID 72857480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).