N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide

C12H23N3O3 — CID 3156710

IUPACN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNLVZVQZDSFXTLS-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3156710) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3156710
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNLVZVQZDSFXTLS-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 3156710) is N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide is CN(C)CCCNC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is NLVZVQZDSFXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).