N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide

C18H28N4O6 — CID 45076418

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESCOCCNC(=O)CNC(=O)CCC(=O)N(CC1CCCO1)c1cc(C)on1
InChIInChI=1S/C18H28N4O6/c1-13-10-15(21-28-13)22(12-14-4-3-8-27-14)18(25)6-5-16(23)20-11-17(24)19-7-9-26-2/h10,14H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyKPWGCXQZYBMJBM-UHFFFAOYSA-N
MW396.44 g/mol
LogP0.15
Rot. Bonds11

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide (PubChem CID 45076418) has the molecular formula C18H28N4O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
PubChem CID45076418
Molecular FormulaC18H28N4O6
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESCOCCNC(=O)CNC(=O)CCC(=O)N(CC1CCCO1)c1cc(C)on1
InChIInChI=1S/C18H28N4O6/c1-13-10-15(21-28-13)22(12-14-4-3-8-27-14)18(25)6-5-16(23)20-11-17(24)19-7-9-26-2/h10,14H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyKPWGCXQZYBMJBM-UHFFFAOYSA-N
XLogP0.15
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
CID 93488921
N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
CID 7397522
N-[(2-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
CID 45076441
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutanoyl]-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzoate
CID 3210834
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
N-[2-(2-methoxyethylamino)-2-oxoethyl]oxolane-2-carboxamide
CID 112991151
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N'-[(1S)-2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxolan-2-yl]methyl]butanediamide
CID 40624751
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
N'-(3,4-dichlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
CID 3210829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide (CID 45076418) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide is COCCNC(=O)CNC(=O)CCC(=O)N(CC1CCCO1)c1cc(C)on1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The InChIKey is KPWGCXQZYBMJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6/c1-13-10-15(21-28-13)22(12-14-4-3-8-27-14)18(25)6-5-16(23)20-11-17(24)19-7-9-26-2/h10,14H,3-9,11-12H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide has a molecular weight of 396.44 g/mol, XLogP of 0.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 45076418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).