2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide

C19H20N2O3 — CID 109388875

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide
SMILESCc1cc2cc(NC(=O)C(C)Oc3cccc(CO)c3)ccc2[nH]1
InChIInChI=1S/C19H20N2O3/c1-12-8-15-10-16(6-7-18(15)20-12)21-19(23)13(2)24-17-5-3-4-14(9-17)11-22/h3-10,13,20,22H,11H2,1-2H3,(H,21,23)
InChIKeyIAPBNNMDXJVBIN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide

2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide (PubChem CID 109388875) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide
PubChem CID109388875
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide
SMILESCc1cc2cc(NC(=O)C(C)Oc3cccc(CO)c3)ccc2[nH]1
InChIInChI=1S/C19H20N2O3/c1-12-8-15-10-16(6-7-18(15)20-12)21-19(23)13(2)24-17-5-3-4-14(9-17)11-22/h3-10,13,20,22H,11H2,1-2H3,(H,21,23)
InChIKeyIAPBNNMDXJVBIN-UHFFFAOYSA-N
XLogP3.37
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
CID 86929104
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide (CID 109388875) is 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide is Cc1cc2cc(NC(=O)C(C)Oc3cccc(CO)c3)ccc2[nH]1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide?
The InChIKey is IAPBNNMDXJVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-8-15-10-16(6-7-18(15)20-12)21-19(23)13(2)24-17-5-3-4-14(9-17)11-22/h3-10,13,20,22H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide is sourced from PubChem (CID 109388875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).