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

C19H32N2O4 — CID 42779763

IUPACN-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCCCCCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H32N2O4/c1-5-6-7-8-10-20-18(22)9-11-21(12-13-24-4)19(23)17-14-15(2)25-16(17)3/h14H,5-13H2,1-4H3,(H,20,22)
InChIKeyUFNQDHOHEQJLSC-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.07
Rot. Bonds12

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

N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 42779763) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID42779763
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCCCCCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H32N2O4/c1-5-6-7-8-10-20-18(22)9-11-21(12-13-24-4)19(23)17-14-15(2)25-16(17)3/h14H,5-13H2,1-4H3,(H,20,22)
InChIKeyUFNQDHOHEQJLSC-UHFFFAOYSA-N
XLogP3.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105662
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
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-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 4642783

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide (CID 42779763) is N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide is CCCCCCNC(=O)CCN(CCOC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UFNQDHOHEQJLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-5-6-7-8-10-20-18(22)9-11-21(12-13-24-4)19(23)17-14-15(2)25-16(17)3/h14H,5-13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide?
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 42779763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).