N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide

C19H18N2O2 — CID 17403979

IUPACN-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(22)15-6-2-5-9-18(15)21-19(23)11-10-14-12-20-17-8-4-3-7-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,21,23)
InChIKeyICUQIOZZXOSCMA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds5

About N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide

N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 17403979) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID17403979
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13(22)15-6-2-5-9-18(15)21-19(23)11-10-14-12-20-17-8-4-3-7-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,21,23)
InChIKeyICUQIOZZXOSCMA-UHFFFAOYSA-N
XLogP3.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
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N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
3-(1H-indol-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35326224
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045784
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide (CID 17403979) is N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide is CC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is ICUQIOZZXOSCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(22)15-6-2-5-9-18(15)21-19(23)11-10-14-12-20-17-8-4-3-7-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide?
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 17403979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).