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

C27H46N2O — CID 10694876

IUPACN-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
SMILESCCCCCCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C27H46N2O/c1-7-8-9-10-11-12-13-14-15-16-18-29-19-17-23-21(2)20-22(3)24(25(23)29)28-26(30)27(4,5)6/h20H,7-19H2,1-6H3,(H,28,30)
InChIKeyBSOCEVPQNVIKAK-UHFFFAOYSA-N
MW414.68 g/mol
LogP7.57
Rot. Bonds12

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

N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide (PubChem CID 10694876) has the molecular formula C27H46N2O and a molecular weight of 414.68 g/mol. Its IUPAC name is N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
PubChem CID10694876
Molecular FormulaC27H46N2O
Molecular Weight414.68 g/mol
Exact Mass414.36
IUPAC NameN-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
SMILESCCCCCCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C27H46N2O/c1-7-8-9-10-11-12-13-14-15-16-18-29-19-17-23-21(2)20-22(3)24(25(23)29)28-26(30)27(4,5)6/h20H,7-19H2,1-6H3,(H,28,30)
InChIKeyBSOCEVPQNVIKAK-UHFFFAOYSA-N
XLogP7.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-4,6-dimethyl-1-octylindolin-7-yl)-2,2-dimethylpropanamide
CID 9981277
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10046998
N-(5-Methanesulfonylamino-4,6-dimethyl-1-pentylindolin-7-yl)-2,2-dimethylpropanamide
CID 10092947
N-(1-Butyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10340670
N-(1-Hexyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10477412
N-(1-butyl-4,6-dimethylindolin-7-yl)pivalamide
CID 10545022
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

Frequently Asked Questions

What is the IUPAC name of N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide (CID 10694876) is N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide is CCCCCCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
The InChIKey is BSOCEVPQNVIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O/c1-7-8-9-10-11-12-13-14-15-16-18-29-19-17-23-21(2)20-22(3)24(25(23)29)28-26(30)27(4,5)6/h20H,7-19H2,1-6H3,(H,28,30).
What are the key properties of N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide?
N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide has a molecular weight of 414.68 g/mol, XLogP of 7.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dodecyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10694876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).