N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide

C19H26N2O2 — CID 119048340

IUPACN-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
SMILESCCN(CC)CCc1ccc(NC(=O)CCc2ccoc2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)13-11-16-5-8-18(9-6-16)20-19(22)10-7-17-12-14-23-15-17/h5-6,8-9,12,14-15H,3-4,7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQAERBNSDYXOBCQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.74
Rot. Bonds9

About N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide

N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide (PubChem CID 119048340) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
PubChem CID119048340
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
SMILESCCN(CC)CCc1ccc(NC(=O)CCc2ccoc2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)13-11-16-5-8-18(9-6-16)20-19(22)10-7-17-12-14-23-15-17/h5-6,8-9,12,14-15H,3-4,7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQAERBNSDYXOBCQ-UHFFFAOYSA-N
XLogP3.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide
CID 119048341
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
N-(4-heptylphenyl)heptanamide
CID 101077737
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[4-[2-(diethylamino)ethyl]phenyl]urea
CID 119048990
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide?
The IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide (CID 119048340) is N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide is CCN(CC)CCc1ccc(NC(=O)CCc2ccoc2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide?
The InChIKey is QAERBNSDYXOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21(4-2)13-11-16-5-8-18(9-6-16)20-19(22)10-7-17-12-14-23-15-17/h5-6,8-9,12,14-15H,3-4,7,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide?
N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide has a molecular weight of 314.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide is sourced from PubChem (CID 119048340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).