2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide

C15H22N4O2 — CID 71999771

IUPAC2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CC(C)CN(C)c2ccccc21
InChIInChI=1S/C15H22N4O2/c1-11-8-18(3)12-6-4-5-7-13(12)19(9-11)10-14(20)17-15(21)16-2/h4-7,11H,8-10H2,1-3H3,(H2,16,17,20,21)
InChIKeyHOQFXFLOPMHWMF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.03
Rot. Bonds2

About 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide

2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide (PubChem CID 71999771) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide
PubChem CID71999771
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CC(C)CN(C)c2ccccc21
InChIInChI=1S/C15H22N4O2/c1-11-8-18(3)12-6-4-5-7-13(12)19(9-11)10-14(20)17-15(21)16-2/h4-7,11H,8-10H2,1-3H3,(H2,16,17,20,21)
InChIKeyHOQFXFLOPMHWMF-UHFFFAOYSA-N
XLogP1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide (CID 71999771) is 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CC(C)CN(C)c2ccccc21.
What is the InChIKey of 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide?
The InChIKey is HOQFXFLOPMHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-18(3)12-6-4-5-7-13(12)19(9-11)10-14(20)17-15(21)16-2/h4-7,11H,8-10H2,1-3H3,(H2,16,17,20,21).
What are the key properties of 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide?
2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 71999771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).