N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide

C17H26N4O2 — CID 119921259

IUPACN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCNCc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-3-8-19-16(22)12-20(2)17(23)13-21-10-9-18-11-14-6-4-5-7-15(14)21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyDXGXJSQEEZUCLH-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.58
Rot. Bonds6

About N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 119921259) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
PubChem CID119921259
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCNCc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-3-8-19-16(22)12-20(2)17(23)13-21-10-9-18-11-14-6-4-5-7-15(14)21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyDXGXJSQEEZUCLH-UHFFFAOYSA-N
XLogP0.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (CID 119921259) is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide is CCCNC(=O)CN(C)C(=O)CN1CCNCc2ccccc21.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is DXGXJSQEEZUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-8-19-16(22)12-20(2)17(23)13-21-10-9-18-11-14-6-4-5-7-15(14)21/h4-7,18H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 119921259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).