N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide

C18H26N4O4 — CID 118738560

IUPACN-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
SMILESCCNC(=O)N1CCC(OC)c2ccccc2N(CC(=O)NC)C(=O)C1
InChIInChI=1S/C18H26N4O4/c1-4-20-18(25)21-10-9-15(26-3)13-7-5-6-8-14(13)22(17(24)12-21)11-16(23)19-2/h5-8,15H,4,9-12H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyFZYYFDSWSVFFLW-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.89
Rot. Bonds4

About N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide

N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide (PubChem CID 118738560) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
PubChem CID118738560
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
SMILESCCNC(=O)N1CCC(OC)c2ccccc2N(CC(=O)NC)C(=O)C1
InChIInChI=1S/C18H26N4O4/c1-4-20-18(25)21-10-9-15(26-3)13-7-5-6-8-14(13)22(17(24)12-21)11-16(23)19-2/h5-8,15H,4,9-12H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyFZYYFDSWSVFFLW-UHFFFAOYSA-N
XLogP0.89
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The IUPAC name of N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide (CID 118738560) is N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide.
What is the SMILES notation for N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The canonical SMILES for N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide is CCNC(=O)N1CCC(OC)c2ccccc2N(CC(=O)NC)C(=O)C1.
What is the InChIKey of N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
The InChIKey is FZYYFDSWSVFFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-4-20-18(25)21-10-9-15(26-3)13-7-5-6-8-14(13)22(17(24)12-21)11-16(23)19-2/h5-8,15H,4,9-12H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide?
N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide is sourced from PubChem (CID 118738560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).