2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide

C13H17N3O — CID 115157790

IUPAC2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-14-9-13(17)16(2)12-8-15-11-7-5-4-6-10(11)12/h4-8,14-15H,3,9H2,1-2H3
InChIKeyAWIZGWCNFPOEFP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds4

About 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide

2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 115157790) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
PubChem CID115157790
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-14-9-13(17)16(2)12-8-15-11-7-5-4-6-10(11)12/h4-8,14-15H,3,9H2,1-2H3
InChIKeyAWIZGWCNFPOEFP-UHFFFAOYSA-N
XLogP1.74
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(1H-indol-3-yl)urea
CID 57486091
4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
CID 115160993
methyl (2S)-2-[bis(1H-indol-3-yl)carbamoyl]butanoate
CID 174588214
2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
CID 115188570
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
2-[[1H-indol-3-yl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250269
N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide (CID 115157790) is 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide is CCNCC(=O)N(C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is AWIZGWCNFPOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-14-9-13(17)16(2)12-8-15-11-7-5-4-6-10(11)12/h4-8,14-15H,3,9H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide?
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 115157790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).