trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate

C20H21N2O3- — CID 6937463

IUPACtrans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)/p-1/t15-,16-/m1/s1
InChIKeyLFBDRDBSOCWZDH-HZPDHXFCSA-M
MW337.40 g/mol
LogP2.92
Rot. Bonds5

About trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate

trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6937463) has the molecular formula C20H21N2O3- and a molecular weight of 337.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6937463
Molecular FormulaC20H21N2O3-
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Nametrans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)/p-1/t15-,16-/m1/s1
InChIKeyLFBDRDBSOCWZDH-HZPDHXFCSA-M
XLogP2.92
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
2-[[(1R,2S)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6940402
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-[(2,3-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6951012
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate (CID 6937463) is trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate is O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is LFBDRDBSOCWZDH-HZPDHXFCSA-M. The full InChI is InChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)/p-1/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate?
trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).