5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide

C14H24N2O3 — CID 106843281

IUPAC5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NCCCCO)o1
InChIInChI=1S/C14H24N2O3/c1-3-16(4-2)11-12-7-8-13(19-12)14(18)15-9-5-6-10-17/h7-8,17H,3-6,9-11H2,1-2H3,(H,15,18)
InChIKeyAFLBBGHTGKUZEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.62
Rot. Bonds9

About 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide

5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide (PubChem CID 106843281) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
PubChem CID106843281
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NCCCCO)o1
InChIInChI=1S/C14H24N2O3/c1-3-16(4-2)11-12-7-8-13(19-12)14(18)15-9-5-6-10-17/h7-8,17H,3-6,9-11H2,1-2H3,(H,15,18)
InChIKeyAFLBBGHTGKUZEB-UHFFFAOYSA-N
XLogP1.62
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040008
N-[3-(diethylamino)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465978
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
CID 112550624
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide?
The IUPAC name of 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide (CID 106843281) is 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide.
What is the SMILES notation for 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide?
The canonical SMILES for 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide is CCN(CC)Cc1ccc(C(=O)NCCCCO)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide?
The InChIKey is AFLBBGHTGKUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-16(4-2)11-12-7-8-13(19-12)14(18)15-9-5-6-10-17/h7-8,17H,3-6,9-11H2,1-2H3,(H,15,18).
What are the key properties of 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide?
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide is sourced from PubChem (CID 106843281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).