cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate

C24H22NO4- — CID 6974630

IUPACcis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m0/s1
InChIKeyCOWVJZMSQNLITM-FCHUYYIVSA-M
MW388.44 g/mol
LogP4.13
Rot. Bonds5

About cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate

cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6974630) has the molecular formula C24H22NO4- and a molecular weight of 388.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6974630
Molecular FormulaC24H22NO4-
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Namecis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m0/s1
InChIKeyCOWVJZMSQNLITM-FCHUYYIVSA-M
XLogP4.13
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
cis-(1S,2R)-2-[[4-(carboxylatomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7494747
cis-(1S,2R)-2-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6979942
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
(1S,6R)-6-[[4-(3,5-dimethylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7298117
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate (CID 6974630) is cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate is O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CCCC[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is COWVJZMSQNLITM-FCHUYYIVSA-M. The full InChI is InChI=1S/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 388.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6974630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).