2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

C12H18N2O3 — CID 47025995

IUPAC2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCC(=O)N(C)CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C12H18N2O3/c1-8-5-6-11(17-8)9(2)13-12(16)7-14(4)10(3)15/h5-6,9H,7H2,1-4H3,(H,13,16)
InChIKeyZRLLEIAVAKYOSG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 47025995) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID47025995
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCC(=O)N(C)CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C12H18N2O3/c1-8-5-6-11(17-8)9(2)13-12(16)7-14(4)10(3)15/h5-6,9H,7H2,1-4H3,(H,13,16)
InChIKeyZRLLEIAVAKYOSG-UHFFFAOYSA-N
XLogP1.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 86920765
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
2-[1-(aminomethyl)cyclobutyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 81178711
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 47110602
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (CID 47025995) is 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is CC(=O)N(C)CC(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is ZRLLEIAVAKYOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-6-11(17-8)9(2)13-12(16)7-14(4)10(3)15/h5-6,9H,7H2,1-4H3,(H,13,16).
What are the key properties of 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 47025995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).