N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

C16H26N4O4 — CID 121036180

IUPACN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C16H26N4O4/c1-19(2)6-5-17-15(21)16(22)18-12-13(14-4-3-9-24-14)20-7-10-23-11-8-20/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyLNRZEEKKYXONFI-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.55
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 121036180) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID121036180
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C16H26N4O4/c1-19(2)6-5-17-15(21)16(22)18-12-13(14-4-3-9-24-14)20-7-10-23-11-8-20/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyLNRZEEKKYXONFI-UHFFFAOYSA-N
XLogP-0.55
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 121036180) is N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is CN(C)CCNC(=O)C(=O)NCC(c1ccco1)N1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is LNRZEEKKYXONFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-19(2)6-5-17-15(21)16(22)18-12-13(14-4-3-9-24-14)20-7-10-23-11-8-20/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 338.41 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 121036180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).