4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide

C15H22N2O — CID 15532333

IUPAC4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide
SMILESCN1c2ccccc2C(C)(C)C1CCCC(N)=O
InChIInChI=1S/C15H22N2O/c1-15(2)11-7-4-5-8-12(11)17(3)13(15)9-6-10-14(16)18/h4-5,7-8,13H,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyUHGAANQGTANAAG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.44
Rot. Bonds4

About 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide

4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide (PubChem CID 15532333) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide
PubChem CID15532333
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide
SMILESCN1c2ccccc2C(C)(C)C1CCCC(N)=O
InChIInChI=1S/C15H22N2O/c1-15(2)11-7-4-5-8-12(11)17(3)13(15)9-6-10-14(16)18/h4-5,7-8,13H,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyUHGAANQGTANAAG-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
CID 67262655
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729
sulfuric acid;1,2,3,3-tetramethyl-2H-indole
CID 69432557
6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
1-chloro-3-(1-ethyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 123375800
3-(N-butylanilino)propanamide
CID 63172183
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
CID 22215715
(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
CID 95156854
4-(1,3,3-trimethylindol-1-ium-2-yl)butanamide
CID 3477511
1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
CID 175752740
hexyl 2-(2,3,3-trimethyl-2H-indol-1-yl)acetate;hydrobromide
CID 173098178

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide?
The IUPAC name of 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide (CID 15532333) is 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide.
What is the SMILES notation for 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide?
The canonical SMILES for 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide is CN1c2ccccc2C(C)(C)C1CCCC(N)=O.
What is the InChIKey of 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide?
The InChIKey is UHGAANQGTANAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2)11-7-4-5-8-12(11)17(3)13(15)9-6-10-14(16)18/h4-5,7-8,13H,6,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide?
4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide is sourced from PubChem (CID 15532333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).