9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate

C24H25N3O3 — CID 87708365

IUPAC9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
SMILESN#CCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1
InChIInChI=1S/C24H25N3O3/c25-14-15-26-22(28)24(12-6-1-7-13-24)27-23(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21H,1,6-7,12-13,15-16H2,(H,26,28)(H,27,29)
InChIKeyDPDVAYMTFQDJMY-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.87
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate

9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate (PubChem CID 87708365) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
PubChem CID87708365
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
SMILESN#CCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1
InChIInChI=1S/C24H25N3O3/c25-14-15-26-22(28)24(12-6-1-7-13-24)27-23(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21H,1,6-7,12-13,15-16H2,(H,26,28)(H,27,29)
InChIKeyDPDVAYMTFQDJMY-UHFFFAOYSA-N
XLogP3.87
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 178191921
2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 165485531
2-[(1R,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclohexyl]acetic acid
CID 178198413
methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
CID 11718644
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
CID 129451733
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
(1R,3R,5R)-3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 178192576

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate (CID 87708365) is 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate is N#CCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate?
The InChIKey is DPDVAYMTFQDJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c25-14-15-26-22(28)24(12-6-1-7-13-24)27-23(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21H,1,6-7,12-13,15-16H2,(H,26,28)(H,27,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate?
9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate has a molecular weight of 403.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate is sourced from PubChem (CID 87708365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).