N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide

C16H23N3O3 — CID 134787098

IUPACN-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
SMILESCCNC(=O)N1CCC(OC)c2ccccc2N(C)C(=O)C1
InChIInChI=1S/C16H23N3O3/c1-4-17-16(21)19-10-9-14(22-3)12-7-5-6-8-13(12)18(2)15(20)11-19/h5-8,14H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyCYSKWSHPAZXGER-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.77
Rot. Bonds2

About N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide

N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide (PubChem CID 134787098) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
PubChem CID134787098
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
SMILESCCNC(=O)N1CCC(OC)c2ccccc2N(C)C(=O)C1
InChIInChI=1S/C16H23N3O3/c1-4-17-16(21)19-10-9-14(22-3)12-7-5-6-8-13(12)18(2)15(20)11-19/h5-8,14H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyCYSKWSHPAZXGER-UHFFFAOYSA-N
XLogP1.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide with MolForge

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Related Compounds

5-(cyclopropanecarbonyl)-7-methoxy-1-methyl-3,4,6,7-tetrahydro-1,5-benzodiazonin-2-one
CID 118738696
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 122270460
1-methyl-2-oxo-N-propyl-3,4-dihydroquinoline-4-carboxamide
CID 110702951
methyl 4-methyl-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate
CID 177208120
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
7-methoxy-1-methyl-5-(1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydro-1,5-benzodiazonin-2-one
CID 155901871
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide
CID 110703004
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The IUPAC name of N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide (CID 134787098) is N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide.
What is the SMILES notation for N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The canonical SMILES for N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide is CCNC(=O)N1CCC(OC)c2ccccc2N(C)C(=O)C1.
What is the InChIKey of N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The InChIKey is CYSKWSHPAZXGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-17-16(21)19-10-9-14(22-3)12-7-5-6-8-13(12)18(2)15(20)11-19/h5-8,14H,4,9-11H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide is sourced from PubChem (CID 134787098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).