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

C13H16N2O5 — CID 41452981

IUPACN-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O5/c1-8(6-18-2)14-12(16)13(17)15-9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeySNNLNUIKDYDPQC-MRVPVSSYSA-N
MW280.28 g/mol
LogP0.50
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide (PubChem CID 41452981) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
PubChem CID41452981
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H16N2O5/c1-8(6-18-2)14-12(16)13(17)15-9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeySNNLNUIKDYDPQC-MRVPVSSYSA-N
XLogP0.50
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N'-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]oxamide
CID 108530599
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N'-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)oxamide
CID 108506623
1-(1,3-benzodioxol-5-yl)-3-pentan-3-ylurea
CID 47132811

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide (CID 41452981) is N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide is COC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The InChIKey is SNNLNUIKDYDPQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(6-18-2)14-12(16)13(17)15-9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide has a molecular weight of 280.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide is sourced from PubChem (CID 41452981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).