8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide

C20H28ClN3O4 — CID 162798594

IUPAC8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
SMILESCOCCNC(=O)C1CCCC(NC(=O)c2ccc(Cl)cc2)CN(C)C(=O)C1
InChIInChI=1S/C20H28ClN3O4/c1-24-13-17(23-20(27)14-6-8-16(21)9-7-14)5-3-4-15(12-18(24)25)19(26)22-10-11-28-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySAKGZLSEYFJLLQ-UHFFFAOYSA-N
MW409.91 g/mol
LogP1.85
Rot. Bonds6

About 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide

8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 162798594) has the molecular formula C20H28ClN3O4 and a molecular weight of 409.91 g/mol. Its IUPAC name is 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID162798594
Molecular FormulaC20H28ClN3O4
Molecular Weight409.91 g/mol
Exact Mass409.18
IUPAC Name8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
SMILESCOCCNC(=O)C1CCCC(NC(=O)c2ccc(Cl)cc2)CN(C)C(=O)C1
InChIInChI=1S/C20H28ClN3O4/c1-24-13-17(23-20(27)14-6-8-16(21)9-7-14)5-3-4-15(12-18(24)25)19(26)22-10-11-28-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySAKGZLSEYFJLLQ-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 51.85
H-Bond Donors ≤ 52
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 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide (CID 162798594) is 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide is COCCNC(=O)C1CCCC(NC(=O)c2ccc(Cl)cc2)CN(C)C(=O)C1.
What is the InChIKey of 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is SAKGZLSEYFJLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O4/c1-24-13-17(23-20(27)14-6-8-16(21)9-7-14)5-3-4-15(12-18(24)25)19(26)22-10-11-28-2/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide?
8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 409.91 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162798594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).