N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

C18H29NO4 — CID 49365482

IUPACN-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C18H29NO4/c1-7-12-18(2,3)19-15(20)11-9-13-8-10-14(21-4)17(23-6)16(13)22-5/h8,10H,7,9,11-12H2,1-6H3,(H,19,20)
InChIKeyUXUZBIFTHPCIBH-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.34
Rot. Bonds9

About N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 49365482) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID49365482
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C18H29NO4/c1-7-12-18(2,3)19-15(20)11-9-13-8-10-14(21-4)17(23-6)16(13)22-5/h8,10H,7,9,11-12H2,1-6H3,(H,19,20)
InChIKeyUXUZBIFTHPCIBH-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 49365482) is N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is CCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is UXUZBIFTHPCIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-7-12-18(2,3)19-15(20)11-9-13-8-10-14(21-4)17(23-6)16(13)22-5/h8,10H,7,9,11-12H2,1-6H3,(H,19,20).
What are the key properties of N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 323.43 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 49365482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).