N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide

C18H25N3O6 — CID 90497880

IUPACN'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O6/c1-18(24,13-2-3-14-15(10-13)27-12-26-14)11-20-17(23)16(22)19-4-5-21-6-8-25-9-7-21/h2-3,10,24H,4-9,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyAKNMSLHLFMJEHN-UHFFFAOYSA-N
MW379.41 g/mol
LogP-0.81
Rot. Bonds6

About N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 90497880) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID90497880
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O6/c1-18(24,13-2-3-14-15(10-13)27-12-26-14)11-20-17(23)16(22)19-4-5-21-6-8-25-9-7-21/h2-3,10,24H,4-9,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyAKNMSLHLFMJEHN-UHFFFAOYSA-N
XLogP-0.81
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3,4-dimethylphenyl)oxamide
CID 90497869
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 90497892
1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676018
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 90499911
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676004
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 95982857
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781935
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
CID 101018068

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 90497880) is N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide is CC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is AKNMSLHLFMJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-18(24,13-2-3-14-15(10-13)27-12-26-14)11-20-17(23)16(22)19-4-5-21-6-8-25-9-7-21/h2-3,10,24H,4-9,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 379.41 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 90497880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).