N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide

C16H25NO4 — CID 18089547

IUPACN-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCCC(C)NC(=O)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-6-7-11(2)17-14(18)10-12-8-9-13(19-3)16(21-5)15(12)20-4/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyZWIFCAUMZMIDGJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.56
Rot. Bonds8

About N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide

N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18089547) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18089547
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCCC(C)NC(=O)Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-6-7-11(2)17-14(18)10-12-8-9-13(19-3)16(21-5)15(12)20-4/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyZWIFCAUMZMIDGJ-UHFFFAOYSA-N
XLogP2.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9089452
2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid
CID 65054790
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
N-[(2S)-butan-2-yl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9127637
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18089547) is N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide is CCCC(C)NC(=O)Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is ZWIFCAUMZMIDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-7-11(2)17-14(18)10-12-8-9-13(19-3)16(21-5)15(12)20-4/h8-9,11H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18089547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).