3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

C18H23NO4 — CID 134046801

IUPAC3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C18H23NO4/c1-12-5-8-16(23-12)13(2)19-18(20)10-6-14-11-15(21-3)7-9-17(14)22-4/h5,7-9,11,13H,6,10H2,1-4H3,(H,19,20)
InChIKeyBORXIMFZUZLQRE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.42
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 134046801) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID134046801
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C18H23NO4/c1-12-5-8-16(23-12)13(2)19-18(20)10-6-14-11-15(21-3)7-9-17(14)22-4/h5,7-9,11,13H,6,10H2,1-4H3,(H,19,20)
InChIKeyBORXIMFZUZLQRE-UHFFFAOYSA-N
XLogP3.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94179735
3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55666210
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (CID 134046801) is 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is COc1ccc(OC)c(CCC(=O)NC(C)c2ccc(C)o2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is BORXIMFZUZLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-5-8-16(23-12)13(2)19-18(20)10-6-14-11-15(21-3)7-9-17(14)22-4/h5,7-9,11,13H,6,10H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 134046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).