N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

C16H26N2O5 — CID 42779764

IUPACN-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H26N2O5/c1-12-11-14(13(2)23-12)16(20)18(8-10-22-4)7-5-15(19)17-6-9-21-3/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyHIBIEQPQRPEZEX-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.14
Rot. Bonds10

About N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 42779764) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID42779764
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H26N2O5/c1-12-11-14(13(2)23-12)16(20)18(8-10-22-4)7-5-15(19)17-6-9-21-3/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyHIBIEQPQRPEZEX-UHFFFAOYSA-N
XLogP1.14
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 4642783
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (CID 42779764) is N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is COCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HIBIEQPQRPEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-12-11-14(13(2)23-12)16(20)18(8-10-22-4)7-5-15(19)17-6-9-21-3/h11H,5-10H2,1-4H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 42779764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).