9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate

C23H26N2O3 — CID 21303828

IUPAC9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC1CC(C)N(C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H26N2O3/c1-15-11-16(2)25(13-15)22(26)12-24-23(27)28-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,24,27)
InChIKeyZTNQHVVKJJDYDD-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.78
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 21303828) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
PubChem CID21303828
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC1CC(C)N(C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H26N2O3/c1-15-11-16(2)25(13-15)22(26)12-24-23(27)28-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,24,27)
InChIKeyZTNQHVVKJJDYDD-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl 2-(1-methoxyethyl)-4-methylpyrrolidine-1-carboxylate
CID 91556810
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
9H-fluoren-9-ylmethyl N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
CID 2477112
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-methylamino]acetic acid
CID 73291902
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
(2R,4R)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178193658

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate (CID 21303828) is 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate is CC1CC(C)N(C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is ZTNQHVVKJJDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-11-16(2)25(13-15)22(26)12-24-23(27)28-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 21303828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).