N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide

C16H22N2O — CID 113208983

IUPACN-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-15(2,3)18-14(19)16(4,5)12-10-17-13-9-7-6-8-11(12)13/h6-10,17H,1-5H3,(H,18,19)
InChIKeyKYMMQFNWFXWNMC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.36
Rot. Bonds2

About N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide

N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113208983) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID113208983
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-15(2,3)18-14(19)16(4,5)12-10-17-13-9-7-6-8-11(12)13/h6-10,17H,1-5H3,(H,18,19)
InChIKeyKYMMQFNWFXWNMC-UHFFFAOYSA-N
XLogP3.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113208953
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209063
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide (CID 113208983) is N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide is CC(C)(C)NC(=O)C(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is KYMMQFNWFXWNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,3)18-14(19)16(4,5)12-10-17-13-9-7-6-8-11(12)13/h6-10,17H,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide?
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 258.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113208983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).