N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide

C14H18N2O5 — CID 7242407

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
SMILESCC[C@H](CO)NC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-2-10(7-17)16-14(19)13(18)15-6-9-3-4-11-12(5-9)21-8-20-11/h3-5,10,17H,2,6-8H2,1H3,(H,15,18)(H,16,19)/t10-/m1/s1
InChIKeySTQPALIJRKLVGC-SNVBAGLBSA-N
MW294.31 g/mol
LogP-0.08
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide (PubChem CID 7242407) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
PubChem CID7242407
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
SMILESCC[C@H](CO)NC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-2-10(7-17)16-14(19)13(18)15-6-9-3-4-11-12(5-9)21-8-20-11/h3-5,10,17H,2,6-8H2,1H3,(H,15,18)(H,16,19)/t10-/m1/s1
InChIKeySTQPALIJRKLVGC-SNVBAGLBSA-N
XLogP-0.08
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid
CID 62905415
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
4-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxobutanamide
CID 58348844
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,3,5,6-tetrafluorophenyl)methyl]oxamide
CID 166184902
N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502994

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide (CID 7242407) is N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide is CC[C@H](CO)NC(=O)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The InChIKey is STQPALIJRKLVGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-10(7-17)16-14(19)13(18)15-6-9-3-4-11-12(5-9)21-8-20-11/h3-5,10,17H,2,6-8H2,1H3,(H,15,18)(H,16,19)/t10-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide has a molecular weight of 294.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide is sourced from PubChem (CID 7242407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).