N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide

C20H22N2O2 — CID 3537942

IUPACN-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-24-22-20(23)12-17(15-8-6-7-14(2)11-15)18-13-21-19-10-5-4-9-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyVNDHGLASBILXRC-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.07
Rot. Bonds6

About N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide

N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide (PubChem CID 3537942) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
PubChem CID3537942
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-24-22-20(23)12-17(15-8-6-7-14(2)11-15)18-13-21-19-10-5-4-9-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyVNDHGLASBILXRC-UHFFFAOYSA-N
XLogP4.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3529601
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 3613244
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110610468
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide (CID 3537942) is N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide is CCONC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is VNDHGLASBILXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-24-22-20(23)12-17(15-8-6-7-14(2)11-15)18-13-21-19-10-5-4-9-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23).
What are the key properties of N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 3537942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).