N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide

C16H20N4O5 — CID 50958554

IUPACN-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NCCOc2nonc2C)c1
InChIInChI=1S/C16H20N4O5/c1-3-14(21)18-12-5-4-6-13(9-12)24-10-15(22)17-7-8-23-16-11(2)19-25-20-16/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyIMVXRQFPPXWJSO-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.30
Rot. Bonds9

About N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide

N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 50958554) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
PubChem CID50958554
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NCCOc2nonc2C)c1
InChIInChI=1S/C16H20N4O5/c1-3-14(21)18-12-5-4-6-13(9-12)24-10-15(22)17-7-8-23-16-11(2)19-25-20-16/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyIMVXRQFPPXWJSO-UHFFFAOYSA-N
XLogP1.30
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.30
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-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
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CID 18870253
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 39043000
N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
CID 95144014
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
CID 50951360
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90650767
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide (CID 50958554) is N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)NCCOc2nonc2C)c1.
What is the InChIKey of N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is IMVXRQFPPXWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-3-14(21)18-12-5-4-6-13(9-12)24-10-15(22)17-7-8-23-16-11(2)19-25-20-16/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 348.36 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50958554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).