N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide

C18H18N2O2 — CID 110730751

IUPACN-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C18H18N2O2/c1-22-16-4-2-3-13(11-16)5-8-18(21)20-15-6-7-17-14(12-15)9-10-19-17/h2-4,6-7,9-12,19H,5,8H2,1H3,(H,20,21)
InChIKeyHNODXXAQOCJJGX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.75
Rot. Bonds5

About N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide

N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 110730751) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID110730751
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C18H18N2O2/c1-22-16-4-2-3-13(11-16)5-8-18(21)20-15-6-7-17-14(12-15)9-10-19-17/h2-4,6-7,9-12,19H,5,8H2,1H3,(H,20,21)
InChIKeyHNODXXAQOCJJGX-UHFFFAOYSA-N
XLogP3.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide (CID 110730751) is N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is HNODXXAQOCJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-4-2-3-13(11-16)5-8-18(21)20-15-6-7-17-14(12-15)9-10-19-17/h2-4,6-7,9-12,19H,5,8H2,1H3,(H,20,21).
What are the key properties of N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide?
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110730751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).