(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide

C30H34N2O2 — CID 72546987

IUPAC(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1
InChIKeyUYLZHMAXLJBXOB-FCEKVYKBSA-N
MW454.61 g/mol
LogP5.18
Rot. Bonds6

About (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide

(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide (PubChem CID 72546987) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
PubChem CID72546987
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1
InChIKeyUYLZHMAXLJBXOB-FCEKVYKBSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide (CID 72546987) is (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1.
What is the InChIKey of (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The InChIKey is UYLZHMAXLJBXOB-FCEKVYKBSA-N. The full InChI is InChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1.
What are the key properties of (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
(1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-benzhydryl-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 72546987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).