N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide

C14H18N2O5 — CID 3156756

IUPACN'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c17-7-3-1-2-6-15-13(18)14(19)16-10-4-5-11-12(8-10)21-9-20-11/h4-5,8,17H,1-3,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyMKLLXUZXYHQEPE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.63
Rot. Bonds6

About N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide

N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide (PubChem CID 3156756) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
PubChem CID3156756
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c17-7-3-1-2-6-15-13(18)14(19)16-10-4-5-11-12(8-10)21-9-20-11/h4-5,8,17H,1-3,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyMKLLXUZXYHQEPE-UHFFFAOYSA-N
XLogP0.63
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)oxamide
CID 108506623
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
N'-(1,3-benzodioxol-5-yl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523588
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160763
N'-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2917290
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390476
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389792
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide (CID 3156756) is N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide is O=C(NCCCCCO)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is MKLLXUZXYHQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-7-3-1-2-6-15-13(18)14(19)16-10-4-5-11-12(8-10)21-9-20-11/h4-5,8,17H,1-3,6-7,9H2,(H,15,18)(H,16,19).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide?
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 294.31 g/mol, XLogP of 0.63, 6 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-yl)-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 3156756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).