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

C14H18N2O — CID 110789052

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-14(17)15-9-8-11-10(2)16-13-7-5-4-6-12(11)13/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyIRZXRGAVPBXSTE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds4

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (PubChem CID 110789052) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
PubChem CID110789052
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-14(17)15-9-8-11-10(2)16-13-7-5-4-6-12(11)13/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyIRZXRGAVPBXSTE-UHFFFAOYSA-N
XLogP2.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (CID 110789052) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is CCC(=O)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is IRZXRGAVPBXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-14(17)15-9-8-11-10(2)16-13-7-5-4-6-12(11)13/h4-7,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110789052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).