N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide

C18H21NO3 — CID 110902384

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO3/c1-22-17-9-6-14(7-10-17)8-11-18(21)19-12-15-4-2-3-5-16(15)13-20/h2-7,9-10,20H,8,11-13H2,1H3,(H,19,21)
InChIKeyBCRFYVFURIBSSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.44
Rot. Bonds7

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110902384) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110902384
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO3/c1-22-17-9-6-14(7-10-17)8-11-18(21)19-12-15-4-2-3-5-16(15)13-20/h2-7,9-10,20H,8,11-13H2,1H3,(H,19,21)
InChIKeyBCRFYVFURIBSSB-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide (CID 110902384) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccccc2CO)cc1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is BCRFYVFURIBSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-22-17-9-6-14(7-10-17)8-11-18(21)19-12-15-4-2-3-5-16(15)13-20/h2-7,9-10,20H,8,11-13H2,1H3,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110902384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).