bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide

C79H122N12O6 — CID 158157315

IUPACbis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCN1CCCC1.CC(C)(C)C(=O)NCN1CCCCC1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCc1c[nH]c2ccccc12.CC(C)(C)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/2C15H22N2O.2C14H18N2O.C11H22N2O.C10H20N2O/c2*1-15(2,3)14(18)16-11-17-9-8-12-6-4-5-7-13(12)10-17;1-14(2,3)13(17)16-9-10-8-15-12-7-5-4-6-11(10)12;1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11;1-11(2,3)10(14)12-9-13-7-5-4-6-8-13;1-10(2,3)9(13)11-8-12-6-4-5-7-12/h2*4-7H,8-11H2,1-3H3,(H,16,18);4-8,15H,9H2,1-3H3,(H,16,17);4-8,16H,9H2,1-3H3,(H,15,17);4-9H2,1-3H3,(H,12,14);4-8H2,1-3H3,(H,11,13)
InChIKeyFVVSXBXJHXXBGM-UHFFFAOYSA-N
MW1335.92 g/mol
LogP12.78
Rot. Bonds12

About bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide

bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 158157315) has the molecular formula C79H122N12O6 and a molecular weight of 1335.92 g/mol. Its IUPAC name is bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Namebis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide
PubChem CID158157315
Molecular FormulaC79H122N12O6
Molecular Weight1335.92 g/mol
Exact Mass1334.96
IUPAC Namebis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCN1CCCC1.CC(C)(C)C(=O)NCN1CCCCC1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCc1c[nH]c2ccccc12.CC(C)(C)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/2C15H22N2O.2C14H18N2O.C11H22N2O.C10H20N2O/c2*1-15(2,3)14(18)16-11-17-9-8-12-6-4-5-7-13(12)10-17;1-14(2,3)13(17)16-9-10-8-15-12-7-5-4-6-11(10)12;1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11;1-11(2,3)10(14)12-9-13-7-5-4-6-8-13;1-10(2,3)9(13)11-8-12-6-4-5-7-12/h2*4-7H,8-11H2,1-3H3,(H,16,18);4-8,15H,9H2,1-3H3,(H,16,17);4-8,16H,9H2,1-3H3,(H,15,17);4-9H2,1-3H3,(H,12,14);4-8H2,1-3H3,(H,11,13)
InChIKeyFVVSXBXJHXXBGM-UHFFFAOYSA-N
XLogP12.78
TPSA219.14 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.92
LogP ≤ 512.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide (CID 158157315) is bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCN1CCCC1.CC(C)(C)C(=O)NCN1CCCCC1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCN1CCc2ccccc2C1.CC(C)(C)C(=O)NCc1c[nH]c2ccccc12.CC(C)(C)C(=O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is FVVSXBXJHXXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N2O.2C14H18N2O.C11H22N2O.C10H20N2O/c2*1-15(2,3)14(18)16-11-17-9-8-12-6-4-5-7-13(12)10-17;1-14(2,3)13(17)16-9-10-8-15-12-7-5-4-6-11(10)12;1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11;1-11(2,3)10(14)12-9-13-7-5-4-6-8-13;1-10(2,3)9(13)11-8-12-6-4-5-7-12/h2*4-7H,8-11H2,1-3H3,(H,16,18);4-8,15H,9H2,1-3H3,(H,16,17);4-8,16H,9H2,1-3H3,(H,15,17);4-9H2,1-3H3,(H,12,14);4-8H2,1-3H3,(H,11,13).
What are the key properties of bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide?
bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 1335.92 g/mol, XLogP of 12.78, 12 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylpropanamide);2,2-dimethyl-N-(piperidin-1-ylmethyl)propanamide;2,2-dimethyl-N-(pyrrolidin-1-ylmethyl)propanamide;N-(1H-indol-2-ylmethyl)-2,2-dimethylpropanamide;N-(1H-indol-3-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 158157315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).