N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide

C19H30N2O — CID 10545022

IUPACN-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
SMILESCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C19H30N2O/c1-7-8-10-21-11-9-15-13(2)12-14(3)16(17(15)21)20-18(22)19(4,5)6/h12H,7-11H2,1-6H3,(H,20,22)
InChIKeyBBUNNFHTQVITDA-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.45
Rot. Bonds4

About N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide

N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide (PubChem CID 10545022) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
PubChem CID10545022
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
SMILESCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C19H30N2O/c1-7-8-10-21-11-9-15-13(2)12-14(3)16(17(15)21)20-18(22)19(4,5)6/h12H,7-11H2,1-6H3,(H,20,22)
InChIKeyBBUNNFHTQVITDA-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,6-dimethyl-1-octylindolin-7-yl)pivalamide
CID 9975693
KY-455
CID 9819918
N-(1-Hexyl-2,3-dihydro-4,6-dimethyl-1H-indol-7-yl)-2,2-dimethylpropanamide
CID 9929135
N-(5-Methanesulfonylamino-1,4,6-trimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 9998209
N-(5-Methanesulfonylamino-4,6-dimethyl-1-propylindolin-7-yl)-2,2-dimethylpropanamide
CID 9999913
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10046998
N-(1-heptyl-4,6-dimethylindolin-7-yl)pivalamide
CID 10571858
N-(4,6-dimethyl-1-propylindolin-7-yl)pivalamide
CID 19606382
Mte2wlf3A4
CID 10091572
N-(1-dodecyl-4,6-dimethylindolin-7-yl)pivalamide
CID 10694876
N-(5-Aminomethyl-4,6-dimethyl-1-octylindolin-7-yl)-2,2-dimethylpropanamide
CID 24950722
N-(1-Ethyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10451623

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide (CID 10545022) is N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide is CCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The InChIKey is BBUNNFHTQVITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-7-8-10-21-11-9-15-13(2)12-14(3)16(17(15)21)20-18(22)19(4,5)6/h12H,7-11H2,1-6H3,(H,20,22).
What are the key properties of N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide has a molecular weight of 302.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10545022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).