N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform

C27H34F3N3O2 — CID 170576059

IUPACN-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1)C(=O)CCN1CCCC1=O.FC(F)F
InChIInChI=1S/C26H33N3O2.CHF3/c1-26(2)22-8-5-4-7-20(22)17-23(26)27-21-12-10-19(11-13-21)18-28(3)24(30)14-16-29-15-6-9-25(29)31;2-1(3)4/h4-5,7-8,10-13,23,27H,6,9,14-18H2,1-3H3;1H
InChIKeyYDILUMIWPRRTJW-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.15
Rot. Bonds7

About N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform

N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform (PubChem CID 170576059) has the molecular formula C27H34F3N3O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform.

Molecular Properties

Compound NameN-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform
PubChem CID170576059
Molecular FormulaC27H34F3N3O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC NameN-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1)C(=O)CCN1CCCC1=O.FC(F)F
InChIInChI=1S/C26H33N3O2.CHF3/c1-26(2)22-8-5-4-7-20(22)17-23(26)27-21-12-10-19(11-13-21)18-28(3)24(30)14-16-29-15-6-9-25(29)31;2-1(3)4/h4-5,7-8,10-13,23,27H,6,9,14-18H2,1-3H3;1H
InChIKeyYDILUMIWPRRTJW-UHFFFAOYSA-N
XLogP5.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
CID 170418651
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(methylaminosulfanyl)propanamide
CID 170418802
(1-acetylazetidin-3-yl) N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 170575967
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131924744
4-[[methyl-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]methyl]benzoic acid
CID 119226114
azetidin-3-yl N-[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylcarbamate
CID 170331571
N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91778052
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170419512
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131922700
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
3-(2-oxoazepan-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)propanamide
CID 72891820
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform?
The IUPAC name of N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform (CID 170576059) is N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform.
What is the SMILES notation for N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform?
The canonical SMILES for N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform is CN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1)C(=O)CCN1CCCC1=O.FC(F)F.
What is the InChIKey of N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform?
The InChIKey is YDILUMIWPRRTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.CHF3/c1-26(2)22-8-5-4-7-20(22)17-23(26)27-21-12-10-19(11-13-21)18-28(3)24(30)14-16-29-15-6-9-25(29)31;2-1(3)4/h4-5,7-8,10-13,23,27H,6,9,14-18H2,1-3H3;1H.
What are the key properties of N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform?
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform has a molecular weight of 489.58 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform is sourced from PubChem (CID 170576059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).