2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide

C14H21N3O — CID 39992264

IUPAC2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2c1CCCC2
InChIInChI=1S/C14H21N3O/c1-9-10-7-5-6-8-11(10)16-13(15-9)17-12(18)14(2,3)4/h5-8H2,1-4H3,(H,15,16,17,18)
InChIKeyXXWLZKUNDASHHS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds1

About 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide

2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide (PubChem CID 39992264) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide
PubChem CID39992264
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2c1CCCC2
InChIInChI=1S/C14H21N3O/c1-9-10-7-5-6-8-11(10)16-13(15-9)17-12(18)14(2,3)4/h5-8H2,1-4H3,(H,15,16,17,18)
InChIKeyXXWLZKUNDASHHS-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide (CID 39992264) is 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide is Cc1nc(NC(=O)C(C)(C)C)nc2c1CCCC2.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide?
The InChIKey is XXWLZKUNDASHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-10-7-5-6-8-11(10)16-13(15-9)17-12(18)14(2,3)4/h5-8H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide?
2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide is sourced from PubChem (CID 39992264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).