N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide

C17H21NO4 — CID 46415111

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccoc2)cc1OCC
InChIInChI=1S/C17H21NO4/c1-4-21-15-7-6-13(10-16(15)22-5-2)12(3)18-17(19)14-8-9-20-11-14/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyDXUMKGHYIUUORK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.57
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide

N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide (PubChem CID 46415111) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
PubChem CID46415111
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccoc2)cc1OCC
InChIInChI=1S/C17H21NO4/c1-4-21-15-7-6-13(10-16(15)22-5-2)12(3)18-17(19)14-8-9-20-11-14/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyDXUMKGHYIUUORK-UHFFFAOYSA-N
XLogP3.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-2-oxoethyl]furan-3-carboxamide
CID 46460724
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide (CID 46415111) is N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccoc2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide?
The InChIKey is DXUMKGHYIUUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-21-15-7-6-13(10-16(15)22-5-2)12(3)18-17(19)14-8-9-20-11-14/h6-12H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 46415111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).