9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate

C28H29N3O3 — CID 45112398

IUPAC9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)NC1CCCCC1
InChIInChI=1S/C28H29N3O3/c32-27(29-19-8-2-1-3-9-19)30-20-14-16-21(17-15-20)31-28(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-7,10-17,19,26H,1-3,8-9,18H2,(H,31,33)(H2,29,30,32)
InChIKeyGUFCBQNYBABMNO-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.50
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate (PubChem CID 45112398) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
PubChem CID45112398
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)NC1CCCCC1
InChIInChI=1S/C28H29N3O3/c32-27(29-19-8-2-1-3-9-19)30-20-14-16-21(17-15-20)31-28(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-7,10-17,19,26H,1-3,8-9,18H2,(H,31,33)(H2,29,30,32)
InChIKeyGUFCBQNYBABMNO-UHFFFAOYSA-N
XLogP6.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
CID 134917791
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate (CID 45112398) is 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate is O=C(Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)NC1CCCCC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate?
The InChIKey is GUFCBQNYBABMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c32-27(29-19-8-2-1-3-9-19)30-20-14-16-21(17-15-20)31-28(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-7,10-17,19,26H,1-3,8-9,18H2,(H,31,33)(H2,29,30,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate has a molecular weight of 455.56 g/mol, XLogP of 6.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate is sourced from PubChem (CID 45112398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).