trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H24N2O5 — CID 982063

IUPACtrans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C22H24N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t14-,15-/m1/s1
InChIKeyYTQJXEOJCWRSKS-HUUCEWRRSA-N
MW396.44 g/mol
LogP3.78
Rot. Bonds6

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

trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 982063) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID982063
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nametrans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C22H24N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t14-,15-/m1/s1
InChIKeyYTQJXEOJCWRSKS-HUUCEWRRSA-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 trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
2-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103977919
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
2-[[2-[(2,4-difluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56696815
cis-(1S,2R)-2-[[2-[(2,4-difluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981866
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11842149
2-[[4-ethyl-3-[(2-methoxyphenyl)carbamoyl]-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377236
2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 11846882
cis-(1R,2S)-2-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982056
2-[[2-(2-methylprop-2-enoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17113215
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 982063) is trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YTQJXEOJCWRSKS-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-29-19-13-7-6-12-18(19)24-21(26)16-10-4-5-11-17(16)23-20(25)14-8-2-3-9-15(14)22(27)28/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-[[2-[(2-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 trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 982063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).