trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide

C20H22N2O2 — CID 15685590

IUPACtrans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1
InChIKeyWZJVGYMNYAGNCB-QZTJIDSGSA-N
MW322.41 g/mol
LogP4.07
Rot. Bonds4

About trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide

trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide (PubChem CID 15685590) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
PubChem CID15685590
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nametrans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1
InChIKeyWZJVGYMNYAGNCB-QZTJIDSGSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
2-(dimethylamino)-N-phenylcyclohexane-1-carboxamide
CID 71440267
2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
(1S)-2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 46738372
2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 3948884
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide (CID 15685590) is trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide is O=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide?
The InChIKey is WZJVGYMNYAGNCB-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide?
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 15685590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).