N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C25H28N2O5 — CID 55880789

IUPACN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OCc3cccnc3)cc2)c(OC)c1OC
InChIInChI=1S/C25H28N2O5/c1-29-22-12-8-20(24(30-2)25(22)31-3)9-13-23(28)27-16-18-6-10-21(11-7-18)32-17-19-5-4-14-26-15-19/h4-8,10-12,14-15H,9,13,16-17H2,1-3H3,(H,27,28)
InChIKeyWXGXQHLCAVWFLQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.94
Rot. Bonds11

About N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55880789) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55880789
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OCc3cccnc3)cc2)c(OC)c1OC
InChIInChI=1S/C25H28N2O5/c1-29-22-12-8-20(24(30-2)25(22)31-3)9-13-23(28)27-16-18-6-10-21(11-7-18)32-17-19-5-4-14-26-15-19/h4-8,10-12,14-15H,9,13,16-17H2,1-3H3,(H,27,28)
InChIKeyWXGXQHLCAVWFLQ-UHFFFAOYSA-N
XLogP3.94
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78876600
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55880789) is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc(OCc3cccnc3)cc2)c(OC)c1OC.
What is the InChIKey of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is WXGXQHLCAVWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-29-22-12-8-20(24(30-2)25(22)31-3)9-13-23(28)27-16-18-6-10-21(11-7-18)32-17-19-5-4-14-26-15-19/h4-8,10-12,14-15H,9,13,16-17H2,1-3H3,(H,27,28).
What are the key properties of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55880789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).