N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide

C15H20N2O5 — CID 108526396

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O5/c1-2-10(8-18)17-15(20)14(19)16-7-11-9-21-12-5-3-4-6-13(12)22-11/h3-6,10-11,18H,2,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHGVGPIVCUFGCDS-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.17
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 108526396) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID108526396
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O5/c1-2-10(8-18)17-15(20)14(19)16-7-11-9-21-12-5-3-4-6-13(12)22-11/h3-6,10-11,18H,2,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHGVGPIVCUFGCDS-UHFFFAOYSA-N
XLogP-0.17
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.17
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

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide
CID 108518700
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
N'-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(2-phenylethyl)oxamide
CID 6593594
(2R)-2-acetamido-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbutanamide
CID 41012966
(2S)-2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 51979757
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 133250669
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-(1H-pyrazol-5-yl)oxamide
CID 52897961
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methylcyclohexyl)oxamide
CID 108525087
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 108526396) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is HGVGPIVCUFGCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-2-10(8-18)17-15(20)14(19)16-7-11-9-21-12-5-3-4-6-13(12)22-11/h3-6,10-11,18H,2,7-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 308.33 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 108526396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).