N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide

C15H21N3O2 — CID 65362341

IUPACN,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CNCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-17(4-2)15(20)11-18-13-8-6-5-7-12(13)9-16-10-14(18)19/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyMVROVAJUETWCSW-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds4

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

N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 65362341) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID65362341
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CNCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-17(4-2)15(20)11-18-13-8-6-5-7-12(13)9-16-10-14(18)19/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyMVROVAJUETWCSW-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Nefiracetam
CID 71157
Tocainide
CID 38945
Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
Lidocaine hydrochloride monohydrate
CID 16219577
Trimecaine
CID 12028
Glycine xylidide
CID 87833
Pyrrocaine
CID 24361

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (CID 65362341) is N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is CCN(CC)C(=O)CN1C(=O)CNCc2ccccc21.
What is the InChIKey of N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is MVROVAJUETWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17(4-2)15(20)11-18-13-8-6-5-7-12(13)9-16-10-14(18)19/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 65362341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).