N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide

C15H23N3O — CID 64852004

IUPACN-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCNc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)17-14(19)11-18-10-6-9-16-12-7-4-5-8-13(12)18/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyUKSUGROEJALVBJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds2

About N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide

N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide (PubChem CID 64852004) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide
PubChem CID64852004
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCNc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)17-14(19)11-18-10-6-9-16-12-7-4-5-8-13(12)18/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyUKSUGROEJALVBJ-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide (CID 64852004) is N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide is CC(C)(C)NC(=O)CN1CCCNc2ccccc21.
What is the InChIKey of N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide?
The InChIKey is UKSUGROEJALVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)17-14(19)11-18-10-6-9-16-12-7-4-5-8-13(12)18/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide?
N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide is sourced from PubChem (CID 64852004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).