2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide

C15H20N2O — CID 175366507

IUPAC2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
SMILESCCC(C(N)=O)(c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-15(10(2)3,14(16)18)12-9-17-13-8-6-5-7-11(12)13/h5-10,17H,4H2,1-3H3,(H2,16,18)
InChIKeySKWPVMFWQXWIMM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds4

About 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide

2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide (PubChem CID 175366507) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
PubChem CID175366507
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
SMILESCCC(C(N)=O)(c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-15(10(2)3,14(16)18)12-9-17-13-8-6-5-7-11(12)13/h5-10,17H,4H2,1-3H3,(H2,16,18)
InChIKeySKWPVMFWQXWIMM-UHFFFAOYSA-N
XLogP2.96
TPSA58.88 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
dimethyl 2-ethyl-2-(1H-indol-3-yl)propanedioate
CID 12548172
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
(2S)-3-ethyl-3-(1H-indol-3-yl)-2-(methylamino)pentanoic acid
CID 175898177
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide?
The IUPAC name of 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide (CID 175366507) is 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide is CCC(C(N)=O)(c1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide?
The InChIKey is SKWPVMFWQXWIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-15(10(2)3,14(16)18)12-9-17-13-8-6-5-7-11(12)13/h5-10,17H,4H2,1-3H3,(H2,16,18).
What are the key properties of 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide?
2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 175366507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).