N'-(3-hydroxypropyl)-N-propyloxamide

C8H16N2O3 — CID 21212883

IUPACN'-(3-hydroxypropyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCCO
InChIInChI=1S/C8H16N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13)
InChIKeyPESVMTGCFNYVLY-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.99
Rot. Bonds5

About N'-(3-hydroxypropyl)-N-propyloxamide

N'-(3-hydroxypropyl)-N-propyloxamide (PubChem CID 21212883) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-(3-hydroxypropyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(3-hydroxypropyl)-N-propyloxamide
PubChem CID21212883
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN'-(3-hydroxypropyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCCO
InChIInChI=1S/C8H16N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13)
InChIKeyPESVMTGCFNYVLY-UHFFFAOYSA-N
XLogP-0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-propyloxamide?
The IUPAC name of N'-(3-hydroxypropyl)-N-propyloxamide (CID 21212883) is N'-(3-hydroxypropyl)-N-propyloxamide.
What is the SMILES notation for N'-(3-hydroxypropyl)-N-propyloxamide?
The canonical SMILES for N'-(3-hydroxypropyl)-N-propyloxamide is CCCNC(=O)C(=O)NCCCO.
What is the InChIKey of N'-(3-hydroxypropyl)-N-propyloxamide?
The InChIKey is PESVMTGCFNYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13).
What are the key properties of N'-(3-hydroxypropyl)-N-propyloxamide?
N'-(3-hydroxypropyl)-N-propyloxamide has a molecular weight of 188.23 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxypropyl)-N-propyloxamide is sourced from PubChem (CID 21212883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).