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

C22H24N2O5 — CID 982067

IUPACcis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C22H24N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h4-5,8-13,16-17H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t16-,17+/m0/s1
InChIKeyHXZVYBCGAXGJOI-DLBZAZTESA-N
MW396.44 g/mol
LogP3.78
Rot. Bonds6

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

cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 982067) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID982067
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namecis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C22H24N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h4-5,8-13,16-17H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t16-,17+/m0/s1
InChIKeyHXZVYBCGAXGJOI-DLBZAZTESA-N
XLogP3.78
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11842149
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
2-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103977919
cis-(1R,2S)-2-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982056
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119265973
cis-(1R,2S)-2-[[3-[(4-methoxyphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27109489
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
cis-(1S,2R)-2-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1304529
cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 9265622
2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 78429348

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 982067) is cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HXZVYBCGAXGJOI-DLBZAZTESA-N. The full InChI is InChI=1S/C22H24N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h4-5,8-13,16-17H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t16-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 396.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 982067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).