N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide

C18H23NO4 — CID 78808448

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccco1
InChIInChI=1S/C18H23NO4/c1-4-19(18(20)10-8-15-6-5-11-23-15)13-14-7-9-16(21-2)17(12-14)22-3/h5-7,9,11-12H,4,8,10,13H2,1-3H3
InChIKeyXGORPYYVFJAZHX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.28
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide (PubChem CID 78808448) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
PubChem CID78808448
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccco1
InChIInChI=1S/C18H23NO4/c1-4-19(18(20)10-8-15-6-5-11-23-15)13-14-7-9-16(21-2)17(12-14)22-3/h5-7,9,11-12H,4,8,10,13H2,1-3H3
InChIKeyXGORPYYVFJAZHX-UHFFFAOYSA-N
XLogP3.28
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 78801443
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide (CID 78808448) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccco1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide?
The InChIKey is XGORPYYVFJAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-4-19(18(20)10-8-15-6-5-11-23-15)13-14-7-9-16(21-2)17(12-14)22-3/h5-7,9,11-12H,4,8,10,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide is sourced from PubChem (CID 78808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).