2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide

C18H22N2O6 — CID 113179129

IUPAC2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc(N(CC(=O)NCc2ccco2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6/c1-12(21)20(11-17(22)19-10-14-6-5-7-26-14)13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKeyLBKDQACAESFHOZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.97
Rot. Bonds8

About 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide

2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113179129) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID113179129
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc(N(CC(=O)NCc2ccco2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6/c1-12(21)20(11-17(22)19-10-14-6-5-7-26-14)13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKeyLBKDQACAESFHOZ-UHFFFAOYSA-N
XLogP1.97
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079850
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide
CID 1004854

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide (CID 113179129) is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide is COc1cc(N(CC(=O)NCc2ccco2)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LBKDQACAESFHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-12(21)20(11-17(22)19-10-14-6-5-7-26-14)13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9H,10-11H2,1-4H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide?
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113179129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).