N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide

C20H30N4O4 — CID 163057923

IUPACN-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide
SMILESCOCCNC(=O)C1CCCC(NC(=O)Nc2ccccc2)CN(C)C(=O)C1
InChIInChI=1S/C20H30N4O4/c1-24-14-17(23-20(27)22-16-8-4-3-5-9-16)10-6-7-15(13-18(24)25)19(26)21-11-12-28-2/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyYAYGQBJOTCFOBB-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.59
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide

N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide (PubChem CID 163057923) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide
PubChem CID163057923
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide
SMILESCOCCNC(=O)C1CCCC(NC(=O)Nc2ccccc2)CN(C)C(=O)C1
InChIInChI=1S/C20H30N4O4/c1-24-14-17(23-20(27)22-16-8-4-3-5-9-16)10-6-7-15(13-18(24)25)19(26)21-11-12-28-2/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyYAYGQBJOTCFOBB-UHFFFAOYSA-N
XLogP1.59
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide (CID 163057923) is N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide is COCCNC(=O)C1CCCC(NC(=O)Nc2ccccc2)CN(C)C(=O)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide?
The InChIKey is YAYGQBJOTCFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-24-14-17(23-20(27)22-16-8-4-3-5-9-16)10-6-7-15(13-18(24)25)19(26)21-11-12-28-2/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,21,26)(H2,22,23,27).
What are the key properties of N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide?
N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide is sourced from PubChem (CID 163057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).