trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C18H24N2O4 — CID 27516821

IUPACtrans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)20-9-11-24-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1
InChIKeyQXGUCBMZUXIMMV-HZPDHXFCSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds4

About trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 27516821) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID27516821
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametrans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)20-9-11-24-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1
InChIKeyQXGUCBMZUXIMMV-HZPDHXFCSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
trans-(1S,2S)-2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981803
trans-(1S,2S)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981797
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
trans-(1S,2S)-2-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27047469

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 27516821) is trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QXGUCBMZUXIMMV-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)20-9-11-24-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 27516821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).