N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide

C15H23ClN4O — CID 157029358

IUPACN-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C15H23ClN4O/c1-15(2,3)19-12(21)9-20(4)13-10-7-5-6-8-11(10)17-14(16)18-13/h5-9H2,1-4H3,(H,19,21)
InChIKeyIDVHBCYFFHLGPU-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.36
Rot. Bonds3

About N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide

N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide (PubChem CID 157029358) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
PubChem CID157029358
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C15H23ClN4O/c1-15(2,3)19-12(21)9-20(4)13-10-7-5-6-8-11(10)17-14(16)18-13/h5-9H2,1-4H3,(H,19,21)
InChIKeyIDVHBCYFFHLGPU-UHFFFAOYSA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide (CID 157029358) is N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(Cl)nc2c1CCCC2.
What is the InChIKey of N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide?
The InChIKey is IDVHBCYFFHLGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-15(2,3)19-12(21)9-20(4)13-10-7-5-6-8-11(10)17-14(16)18-13/h5-9H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide?
N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide has a molecular weight of 310.83 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 157029358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).