cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H25NO4 — CID 7299399

IUPACcis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OCCc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-17-10-12-18(13-11-17)27-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20+/m0/s1
InChIKeyFHSBIDGOYLEMNL-VQTJNVASSA-N
MW367.45 g/mol
LogP4.14
Rot. Bonds7

About cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 7299399) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID7299399
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Namecis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OCCc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-17-10-12-18(13-11-17)27-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20+/m0/s1
InChIKeyFHSBIDGOYLEMNL-VQTJNVASSA-N
XLogP4.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17233524
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56970029
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976039
2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17131410
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 7299399) is cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(OCCc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FHSBIDGOYLEMNL-VQTJNVASSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-17-10-12-18(13-11-17)27-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 7299399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).