N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide

C21H25N3O2 — CID 86987567

IUPACN-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H25N3O2/c1-21(2,3)23-19(25)13-24(4)20(26)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyWFHWIJMJSNWPSZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds3

About N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide

N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide (PubChem CID 86987567) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
PubChem CID86987567
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H25N3O2/c1-21(2,3)23-19(25)13-24(4)20(26)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyWFHWIJMJSNWPSZ-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
2-[benzenesulfonyl(methyl)amino]-N-(9H-fluoren-2-yl)acetamide
CID 46408845
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259
N-(9H-fluoren-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24658365
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
CID 11369932
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide (CID 86987567) is N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide?
The InChIKey is WFHWIJMJSNWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)23-19(25)13-24(4)20(26)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide?
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide is sourced from PubChem (CID 86987567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).