N-(3-hydroxypropyl)-N'-propan-2-yloxamide

C8H16N2O3 — CID 4665705

IUPACN-(3-hydroxypropyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCO
InChIInChI=1S/C8H16N2O3/c1-6(2)10-8(13)7(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyBKUSDKXSLKPMJK-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.99
Rot. Bonds4

About N-(3-hydroxypropyl)-N'-propan-2-yloxamide

N-(3-hydroxypropyl)-N'-propan-2-yloxamide (PubChem CID 4665705) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-propan-2-yloxamide
PubChem CID4665705
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-(3-hydroxypropyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCO
InChIInChI=1S/C8H16N2O3/c1-6(2)10-8(13)7(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyBKUSDKXSLKPMJK-UHFFFAOYSA-N
XLogP-0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-propan-2-yloxamide (CID 4665705) is N-(3-hydroxypropyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N'-propan-2-yloxamide?
The InChIKey is BKUSDKXSLKPMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)10-8(13)7(12)9-4-3-5-11/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of N-(3-hydroxypropyl)-N'-propan-2-yloxamide?
N-(3-hydroxypropyl)-N'-propan-2-yloxamide has a molecular weight of 188.23 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 4665705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).