3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide

C21H22N2O2 — CID 9076803

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-3-14-22-20(24)13-12-18-17-6-4-5-7-19(17)23-21(18)15-8-10-16(25-2)11-9-15/h3-11,23H,1,12-14H2,2H3,(H,22,24)
InChIKeyYSCCOZBLQUOPAU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.08
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide (PubChem CID 9076803) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
PubChem CID9076803
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-3-14-22-20(24)13-12-18-17-6-4-5-7-19(17)23-21(18)15-8-10-16(25-2)11-9-15/h3-11,23H,1,12-14H2,2H3,(H,22,24)
InChIKeyYSCCOZBLQUOPAU-UHFFFAOYSA-N
XLogP4.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
CID 56558488
benzyl 2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]acetate
CID 27711373
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 34239440
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 25492281

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide (CID 9076803) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide?
The InChIKey is YSCCOZBLQUOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-14-22-20(24)13-12-18-17-6-4-5-7-19(17)23-21(18)15-8-10-16(25-2)11-9-15/h3-11,23H,1,12-14H2,2H3,(H,22,24).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 9076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).