2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C16H19NO4 — CID 51187767

IUPAC2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(C)o2)c1OC
InChIInChI=1S/C16H19NO4/c1-10-8-9-13(21-10)11(2)17-16(18)12-6-5-7-14(19-3)15(12)20-4/h5-9,11H,1-4H3,(H,17,18)
InChIKeyMBVHBEDJVDEQIJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.10
Rot. Bonds5

About 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 51187767) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID51187767
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(C)o2)c1OC
InChIInChI=1S/C16H19NO4/c1-10-8-9-13(21-10)11(2)17-16(18)12-6-5-7-14(19-3)15(12)20-4/h5-9,11H,1-4H3,(H,17,18)
InChIKeyMBVHBEDJVDEQIJ-UHFFFAOYSA-N
XLogP3.10
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 62092430
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 51187767) is 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(C)o2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is MBVHBEDJVDEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-8-9-13(21-10)11(2)17-16(18)12-6-5-7-14(19-3)15(12)20-4/h5-9,11H,1-4H3,(H,17,18).
What are the key properties of 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 51187767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).