2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide

C15H21N3O — CID 79805542

IUPAC2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-15(2,16)14(19)17-9-8-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,18H,3,8-9,16H2,1-2H3,(H,17,19)
InChIKeyZOYZOQYONNYXJL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide

2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide (PubChem CID 79805542) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
PubChem CID79805542
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-15(2,16)14(19)17-9-8-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,18H,3,8-9,16H2,1-2H3,(H,17,19)
InChIKeyZOYZOQYONNYXJL-UHFFFAOYSA-N
XLogP1.95
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
4-[[(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 67671736
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
CID 54112601
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 110996545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide (CID 79805542) is 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide?
The InChIKey is ZOYZOQYONNYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(2,16)14(19)17-9-8-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,18H,3,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide?
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 79805542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).