N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide

C19H30N2O4 — CID 4642783

IUPACN-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H30N2O4/c1-15-14-17(16(2)25-15)19(23)21(11-7-13-24-3)12-8-18(22)20-9-5-4-6-10-20/h14H,4-13H2,1-3H3
InChIKeyBBLHGMKMBWLJSG-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.78
Rot. Bonds8

About N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide

N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide (PubChem CID 4642783) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
PubChem CID4642783
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H30N2O4/c1-15-14-17(16(2)25-15)19(23)21(11-7-13-24-3)12-8-18(22)20-9-5-4-6-10-20/h14H,4-13H2,1-3H3
InChIKeyBBLHGMKMBWLJSG-UHFFFAOYSA-N
XLogP2.78
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 3437554
2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4197500
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868
N-ethyl-2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 816495
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide (CID 4642783) is N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide is COCCCN(CCC(=O)N1CCCCC1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The InChIKey is BBLHGMKMBWLJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-15-14-17(16(2)25-15)19(23)21(11-7-13-24-3)12-8-18(22)20-9-5-4-6-10-20/h14H,4-13H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide?
N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide is sourced from PubChem (CID 4642783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).