N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide

C19H20N2O2 — CID 2809950

IUPACN-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc(C)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-14-13-21(18-6-4-3-5-17(14)18)12-11-19(22)20-15-7-9-16(23-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyTTYYVLCSYHLKOK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.99
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide

N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide (PubChem CID 2809950) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
PubChem CID2809950
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc(C)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-14-13-21(18-6-4-3-5-17(14)18)12-11-19(22)20-15-7-9-16(23-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyTTYYVLCSYHLKOK-UHFFFAOYSA-N
XLogP3.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide (CID 2809950) is N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide is COc1ccc(NC(=O)CCn2cc(C)c3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide?
The InChIKey is TTYYVLCSYHLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-13-21(18-6-4-3-5-17(14)18)12-11-19(22)20-15-7-9-16(23-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide?
N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide is sourced from PubChem (CID 2809950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).