N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide

C15H24N4O — CID 115701936

IUPACN-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2c1CCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O/c1-10(14(20)19-15(2,3)4)18-13-11-7-5-6-8-12(11)16-9-17-13/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyJPGFPLRHQVDQFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds3

About N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide

N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide (PubChem CID 115701936) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
PubChem CID115701936
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2c1CCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O/c1-10(14(20)19-15(2,3)4)18-13-11-7-5-6-8-12(11)16-9-17-13/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyJPGFPLRHQVDQFB-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide (CID 115701936) is N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide is CC(Nc1ncnc2c1CCCC2)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide?
The InChIKey is JPGFPLRHQVDQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(14(20)19-15(2,3)4)18-13-11-7-5-6-8-12(11)16-9-17-13/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide?
N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide is sourced from PubChem (CID 115701936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).