N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide

C19H18N2O2 — CID 53160273

IUPACN-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H18N2O2/c1-13(22)15-5-2-6-16(12-15)21-19(23)9-8-14-4-3-7-18-17(14)10-11-20-18/h2-7,10-12,20H,8-9H2,1H3,(H,21,23)
InChIKeyGEXMOBWZLNTGHI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds5

About N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide

N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide (PubChem CID 53160273) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
PubChem CID53160273
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H18N2O2/c1-13(22)15-5-2-6-16(12-15)21-19(23)9-8-14-4-3-7-18-17(14)10-11-20-18/h2-7,10-12,20H,8-9H2,1H3,(H,21,23)
InChIKeyGEXMOBWZLNTGHI-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

3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 53160277
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide (CID 53160273) is N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide is CC(=O)c1cccc(NC(=O)CCc2cccc3[nH]ccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide?
The InChIKey is GEXMOBWZLNTGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(22)15-5-2-6-16(12-15)21-19(23)9-8-14-4-3-7-18-17(14)10-11-20-18/h2-7,10-12,20H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide?
N-(3-acetylphenyl)-3-(1H-indol-4-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-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide is sourced from PubChem (CID 53160273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).