3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide

C24H31N3O2 — CID 170418651

IUPAC3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-17(28)25-14-13-23(29)27(4)16-18-9-11-20(12-10-18)26-22-15-19-7-5-6-8-21(19)24(22,2)3/h5-12,22,26H,13-16H2,1-4H3,(H,25,28)
InChIKeyPDGLYAKLZZDHQS-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.49
Rot. Bonds7

About 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide

3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide (PubChem CID 170418651) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
PubChem CID170418651
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-17(28)25-14-13-23(29)27(4)16-18-9-11-20(12-10-18)26-22-15-19-7-5-6-8-21(19)24(22,2)3/h5-12,22,26H,13-16H2,1-4H3,(H,25,28)
InChIKeyPDGLYAKLZZDHQS-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(methylaminosulfanyl)propanamide
CID 170418802
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform
CID 170576059
(1-acetylazetidin-3-yl) N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 170575967
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-1-methylsulfonylazetidine-3-carboxamide
CID 170575925
[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-methylcarbamic acid
CID 170331527
4-[[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-methylamino]-4-oxobutanoic acid
CID 170330638
ethyl 4-[[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-methylamino]-4-oxobutanoate
CID 170331365
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
CID 170419210
azetidin-3-yl N-[1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylcarbamate
CID 170331571
azetidin-3-yl N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylcarbamate
CID 170330962
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

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide (CID 170418651) is 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide is CC(=O)NCCC(=O)N(C)Cc1ccc(NC2Cc3ccccc3C2(C)C)cc1.
What is the InChIKey of 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide?
The InChIKey is PDGLYAKLZZDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(28)25-14-13-23(29)27(4)16-18-9-11-20(12-10-18)26-22-15-19-7-5-6-8-21(19)24(22,2)3/h5-12,22,26H,13-16H2,1-4H3,(H,25,28).
What are the key properties of 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide?
3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 170418651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).