9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate

C28H29NO5 — CID 102157899

IUPAC9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate
SMILESCN(CC1(COCc2ccccc2)OCCO1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H29NO5/c1-29(19-28(33-15-16-34-28)20-31-17-21-9-3-2-4-10-21)27(30)32-18-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h2-14,26H,15-20H2,1H3
InChIKeyKPANDUBPAGLAKP-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.83
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate

9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate (PubChem CID 102157899) has the molecular formula C28H29NO5 and a molecular weight of 459.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate
PubChem CID102157899
Molecular FormulaC28H29NO5
Molecular Weight459.54 g/mol
Exact Mass459.20
IUPAC Name9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate
SMILESCN(CC1(COCc2ccccc2)OCCO1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H29NO5/c1-29(19-28(33-15-16-34-28)20-31-17-21-9-3-2-4-10-21)27(30)32-18-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h2-14,26H,15-20H2,1H3
InChIKeyKPANDUBPAGLAKP-UHFFFAOYSA-N
XLogP4.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 154814384
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
benzyl (2S,3S)-2-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]-3-methylpentanoate
CID 100954368
3-O-benzyl 2-O-(9H-fluoren-9-ylmethyl) (3S)-6,6-dimethyl-1,5,2-dioxazinane-2,3-dicarboxylate
CID 138965943
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
benzyl (2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-hydroxy-4-oxo-4-(tritylamino)butanoate
CID 172766947
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73090543
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate (CID 102157899) is 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate is CN(CC1(COCc2ccccc2)OCCO1)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate?
The InChIKey is KPANDUBPAGLAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO5/c1-29(19-28(33-15-16-34-28)20-31-17-21-9-3-2-4-10-21)27(30)32-18-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h2-14,26H,15-20H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate has a molecular weight of 459.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-methyl-N-[[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 102157899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).