3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide

C18H21N3O — CID 70159109

IUPAC3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCCn1cccc1
InChIInChI=1S/C18H21N3O/c1-14(18(22)19-8-11-21-9-4-5-10-21)12-15-13-20-17-7-3-2-6-16(15)17/h2-7,9-10,13-14,20H,8,11-12H2,1H3,(H,19,22)
InChIKeyVMLZVWLMJSZRMD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.96
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide

3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 70159109) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID70159109
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCCn1cccc1
InChIInChI=1S/C18H21N3O/c1-14(18(22)19-8-11-21-9-4-5-10-21)12-15-13-20-17-7-3-2-6-16(15)17/h2-7,9-10,13-14,20H,8,11-12H2,1H3,(H,19,22)
InChIKeyVMLZVWLMJSZRMD-UHFFFAOYSA-N
XLogP2.96
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 70207530
N-[(3,4-dihydroxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70160522
ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
CID 58406243
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70208719
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide (CID 70159109) is 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide is CC(Cc1c[nH]c2ccccc12)C(=O)NCCn1cccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is VMLZVWLMJSZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(18(22)19-8-11-21-9-4-5-10-21)12-15-13-20-17-7-3-2-6-16(15)17/h2-7,9-10,13-14,20H,8,11-12H2,1H3,(H,19,22).
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide?
3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 295.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 70159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).