[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate

C18H23FN2O3 — CID 95985844

IUPAC[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)C2CCC2)C1
InChIInChI=1S/C18H23FN2O3/c19-13-7-9-14(10-8-13)21-18(23)24-16-6-2-5-15(11-16)20-17(22)12-3-1-4-12/h7-10,12,15-16H,1-6,11H2,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyFLSDPNNFVKTWNY-JKSUJKDBSA-N
MW334.39 g/mol
LogP3.60
Rot. Bonds4

About [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate

[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate (PubChem CID 95985844) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
PubChem CID95985844
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)C2CCC2)C1
InChIInChI=1S/C18H23FN2O3/c19-13-7-9-14(10-8-13)21-18(23)24-16-6-2-5-15(11-16)20-17(22)12-3-1-4-12/h7-10,12,15-16H,1-6,11H2,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyFLSDPNNFVKTWNY-JKSUJKDBSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 71794320
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 71794354
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate (CID 95985844) is [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)C2CCC2)C1.
What is the InChIKey of [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate?
The InChIKey is FLSDPNNFVKTWNY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-13-7-9-14(10-8-13)21-18(23)24-16-6-2-5-15(11-16)20-17(22)12-3-1-4-12/h7-10,12,15-16H,1-6,11H2,(H,20,22)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate?
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate has a molecular weight of 334.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 95985844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).