9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate

C22H25N3O5 — CID 59841418

IUPAC9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate
SMILESCNC(=O)COCC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-23-20(26)13-29-14-21(27)24-10-11-25-22(28)30-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyXQMGPDONQGFSOA-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.40
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate (PubChem CID 59841418) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate
PubChem CID59841418
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate
SMILESCNC(=O)COCC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-23-20(26)13-29-14-21(27)24-10-11-25-22(28)30-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyXQMGPDONQGFSOA-UHFFFAOYSA-N
XLogP1.40
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
CID 68671460
2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
CID 159342393
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 134528524
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(methylamino)-2-oxoethoxy]propanoic acid
CID 154928808
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 135271738
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate (CID 59841418) is 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate is CNC(=O)COCC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate?
The InChIKey is XQMGPDONQGFSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-23-20(26)13-29-14-21(27)24-10-11-25-22(28)30-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate has a molecular weight of 411.46 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 59841418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).