3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide

C19H20N2O3 — CID 108947050

IUPAC3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
SMILESCOc1ccc(CNC(=O)CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-8-6-14(7-9-16)13-20-18(22)12-19(23)21-11-10-15-4-2-3-5-17(15)21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyKMJJLLWQLKLRMD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.29
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide

3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide (PubChem CID 108947050) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
PubChem CID108947050
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
SMILESCOc1ccc(CNC(=O)CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-8-6-14(7-9-16)13-20-18(22)12-19(23)21-11-10-15-4-2-3-5-17(15)21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyKMJJLLWQLKLRMD-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948672
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183033
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide (CID 108947050) is 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide is COc1ccc(CNC(=O)CC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide?
The InChIKey is KMJJLLWQLKLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-8-6-14(7-9-16)13-20-18(22)12-19(23)21-11-10-15-4-2-3-5-17(15)21/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide?
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide has a molecular weight of 324.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide is sourced from PubChem (CID 108947050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).