N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide

C20H28N2O2 — CID 100676417

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)N(CC)CCCN(C)C)o2)cc1
InChIInChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)18-12-13-19(24-18)20(23)22(6-2)15-7-14-21(3)4/h8-13H,5-7,14-15H2,1-4H3
InChIKeyQOKFEAQLCRZAPD-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.92
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide

N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 100676417) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide
PubChem CID100676417
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(-c2ccc(C(=O)N(CC)CCCN(C)C)o2)cc1
InChIInChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)18-12-13-19(24-18)20(23)22(6-2)15-7-14-21(3)4/h8-13H,5-7,14-15H2,1-4H3
InChIKeyQOKFEAQLCRZAPD-UHFFFAOYSA-N
XLogP3.92
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(4-acetylphenyl)furan-2-carbonyl]-ethylamino]propanoic acid
CID 119191572
2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
CID 119209158
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
5-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119552942
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 51182582
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide (CID 100676417) is N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(-c2ccc(C(=O)N(CC)CCCN(C)C)o2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is QOKFEAQLCRZAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)18-12-13-19(24-18)20(23)22(6-2)15-7-14-21(3)4/h8-13H,5-7,14-15H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 100676417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).