N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide

C12H23N3O4 — CID 3156972

IUPACN-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O4/c1-18-8-2-3-13-11(16)12(17)14-4-5-15-6-9-19-10-7-15/h2-10H2,1H3,(H,13,16)(H,14,17)
InChIKeyLPPRKASUBOMGEJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.41
Rot. Bonds7

About N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide

N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 3156972) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID3156972
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O4/c1-18-8-2-3-13-11(16)12(17)14-4-5-15-6-9-19-10-7-15/h2-10H2,1H3,(H,13,16)(H,14,17)
InChIKeyLPPRKASUBOMGEJ-UHFFFAOYSA-N
XLogP-1.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide (CID 3156972) is N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide is COCCCNC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is LPPRKASUBOMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-18-8-2-3-13-11(16)12(17)14-4-5-15-6-9-19-10-7-15/h2-10H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide?
N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 273.33 g/mol, XLogP of -1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 3156972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).