9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate

C27H32N2O7 — CID 102157909

IUPAC9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1(C=O)OCCO1)CC1(CN(C)C(=O)OCC2c3ccccc3-c3ccccc32)OCCO1
InChIInChI=1S/C27H32N2O7/c1-28(17-27(19-30)35-13-14-36-27)16-26(33-11-12-34-26)18-29(2)25(31)32-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,24H,11-18H2,1-2H3
InChIKeyJQTMKTLPWYXFGN-UHFFFAOYSA-N
MW496.56 g/mol
LogP2.48
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate

9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate (PubChem CID 102157909) has the molecular formula C27H32N2O7 and a molecular weight of 496.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate
PubChem CID102157909
Molecular FormulaC27H32N2O7
Molecular Weight496.56 g/mol
Exact Mass496.22
IUPAC Name9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1(C=O)OCCO1)CC1(CN(C)C(=O)OCC2c3ccccc3-c3ccccc32)OCCO1
InChIInChI=1S/C27H32N2O7/c1-28(17-27(19-30)35-13-14-36-27)16-26(33-11-12-34-26)18-29(2)25(31)32-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,24H,11-18H2,1-2H3
InChIKeyJQTMKTLPWYXFGN-UHFFFAOYSA-N
XLogP2.48
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate
CID 102157899
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
CID 164550281
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
CID 131964913
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-morpholin-4-ylbutanoic acid
CID 146471451
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 170917274
ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 123893552
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
CID 135151747

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate (CID 102157909) is 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate is CN(CC1(C=O)OCCO1)CC1(CN(C)C(=O)OCC2c3ccccc3-c3ccccc32)OCCO1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate?
The InChIKey is JQTMKTLPWYXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7/c1-28(17-27(19-30)35-13-14-36-27)16-26(33-11-12-34-26)18-29(2)25(31)32-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,24H,11-18H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate?
9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate has a molecular weight of 496.56 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[2-[[(2-formyl-1,3-dioxolan-2-yl)methyl-methylamino]methyl]-1,3-dioxolan-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 102157909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).