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

C20H22N2O2 — CID 71840809

IUPACN-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2O2/c1-2-24-19-6-4-3-5-17(19)14-22-20(23)10-8-15-7-9-18-16(13-15)11-12-21-18/h3-7,9,11-13,21H,2,8,10,14H2,1H3,(H,22,23)
InChIKeyDXYHIJYCNWGGKQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.82
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide (PubChem CID 71840809) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
PubChem CID71840809
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2O2/c1-2-24-19-6-4-3-5-17(19)14-22-20(23)10-8-15-7-9-18-16(13-15)11-12-21-18/h3-7,9,11-13,21H,2,8,10,14H2,1H3,(H,22,23)
InChIKeyDXYHIJYCNWGGKQ-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
2-[[3-(1H-indol-5-yl)propanoylamino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 166228711
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide (CID 71840809) is N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide is CCOc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide?
The InChIKey is DXYHIJYCNWGGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-24-19-6-4-3-5-17(19)14-22-20(23)10-8-15-7-9-18-16(13-15)11-12-21-18/h3-7,9,11-13,21H,2,8,10,14H2,1H3,(H,22,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide?
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 71840809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).