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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Related Compounds

8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798594
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 86770821
8-[(4-cyanobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798595
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
CID 86770824
N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
CID 100618985
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
CID 162808112
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
N-(2-methoxyethyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118564

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).