N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide

C16H23NO4 — CID 113095956

IUPACN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCN(C(C)=O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-11(18)17(13-5-6-13)8-7-12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13H,5-8H2,1-4H3
InChIKeyWLAXDQMHINLAOS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.27
Rot. Bonds7

About N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide

N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (PubChem CID 113095956) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
PubChem CID113095956
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCN(C(C)=O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-11(18)17(13-5-6-13)8-7-12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13H,5-8H2,1-4H3
InChIKeyWLAXDQMHINLAOS-UHFFFAOYSA-N
XLogP2.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095973
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
CID 113096008
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
CID 113095939
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (CID 113095956) is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is COc1cc(CCN(C(C)=O)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is WLAXDQMHINLAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(18)17(13-5-6-13)8-7-12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113095956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).