[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate

C22H26N2O3 — CID 95985789

IUPAC[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
SMILESO=C(CCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)27-22(26)24-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,24,26)/t19-,20-/m0/s1
InChIKeySPKLWPJLZXQOQW-PMACEKPBSA-N
MW366.46 g/mol
LogP4.30
Rot. Bonds6

About [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate

[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate (PubChem CID 95985789) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
PubChem CID95985789
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
SMILESO=C(CCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)27-22(26)24-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,24,26)/t19-,20-/m0/s1
InChIKeySPKLWPJLZXQOQW-PMACEKPBSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.30
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
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
CID 71794298
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
CID 71794272
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate (CID 95985789) is [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate is O=C(CCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate?
The InChIKey is SPKLWPJLZXQOQW-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)27-22(26)24-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,24,26)/t19-,20-/m0/s1.
What are the key properties of [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate?
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 95985789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).