cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate

C23H26NO3- — CID 7494273

IUPACcis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C23H27NO3/c25-22(20-13-7-8-14-21(20)23(26)27)24-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2,(H,24,25)(H,26,27)/p-1/t20-,21+/m0/s1
InChIKeyHHEMGGFHWUTMJO-LEWJYISDSA-M
MW364.46 g/mol
LogP2.88
Rot. Bonds7

About cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate

cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 7494273) has the molecular formula C23H26NO3- and a molecular weight of 364.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID7494273
Molecular FormulaC23H26NO3-
Molecular Weight364.46 g/mol
Exact Mass364.19
IUPAC Namecis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C23H27NO3/c25-22(20-13-7-8-14-21(20)23(26)27)24-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2,(H,24,25)(H,26,27)/p-1/t20-,21+/m0/s1
InChIKeyHHEMGGFHWUTMJO-LEWJYISDSA-M
XLogP2.88
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
(1R,2S,3R,4R)-3-(3,3-diphenylpropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18555130
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(1S,2R,3R,4S)-3-(3,3-diphenylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98290571
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
(1R,2S,3R,4S)-3-(3,3-diphenylpropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11903174
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
(1S,2S,3S,4S)-3-(3,3-diphenylpropylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 7494707
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate (CID 7494273) is cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate is O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is HHEMGGFHWUTMJO-LEWJYISDSA-M. The full InChI is InChI=1S/C23H27NO3/c25-22(20-13-7-8-14-21(20)23(26)27)24-16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2,(H,24,25)(H,26,27)/p-1/t20-,21+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate?
cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 364.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 7494273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).