2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide

C15H20N2O — CID 110789053

IUPAC2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)15(18)16-9-8-12-11(3)17-14-7-5-4-6-13(12)14/h4-7,10,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUVTJCUZTCIRQTN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide

2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (PubChem CID 110789053) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
PubChem CID110789053
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)15(18)16-9-8-12-11(3)17-14-7-5-4-6-13(12)14/h4-7,10,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUVTJCUZTCIRQTN-UHFFFAOYSA-N
XLogP2.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
4-chloro-N-[(2R)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 52521357
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 112529669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (CID 110789053) is 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is Cc1[nH]c2ccccc2c1CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is UVTJCUZTCIRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)15(18)16-9-8-12-11(3)17-14-7-5-4-6-13(12)14/h4-7,10,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110789053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).