(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide

C18H31N5O3 — CID 75411836

IUPAC(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1
InChIInChI=1S/C18H31N5O3/c1-22-9-7-19-16(22)12-21-15-6-4-5-14(11-17(24)23(2)13-15)18(25)20-8-10-26-3/h7,9,14-15,21H,4-6,8,10-13H2,1-3H3,(H,20,25)/t14-,15-/m1/s1
InChIKeyOXEZCKWFHJWHEV-HUUCEWRRSA-N
MW365.48 g/mol
LogP0.29
Rot. Bonds7

About (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide

(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide (PubChem CID 75411836) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
PubChem CID75411836
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1
InChIInChI=1S/C18H31N5O3/c1-22-9-7-19-16(22)12-21-15-6-4-5-14(11-17(24)23(2)13-15)18(25)20-8-10-26-3/h7,9,14-15,21H,4-6,8,10-13H2,1-3H3,(H,20,25)/t14-,15-/m1/s1
InChIKeyOXEZCKWFHJWHEV-HUUCEWRRSA-N
XLogP0.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 75411796
CID 75411796
CID 75411808
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CID 75411825
CID 75411825
CID 75411882
CID 75411882
CID 164633371
CID 164633371
CID 59045932
CID 59045932
CID 67556142
CID 67556142
CID 132224304
CID 132224304
CID 132224305
CID 132224305
CID 132225085
CID 132225085
CID 136456870
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CID 148002397
CID 148002397

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide (CID 75411836) is (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide is COCCNC(=O)[C@@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The InChIKey is OXEZCKWFHJWHEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-22-9-7-19-16(22)12-21-15-6-4-5-14(11-17(24)23(2)13-15)18(25)20-8-10-26-3/h7,9,14-15,21H,4-6,8,10-13H2,1-3H3,(H,20,25)/t14-,15-/m1/s1.
What are the key properties of (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).