(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide

C26H32N4O2 — CID 92558379

IUPAC(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)CCO3)c2)cc1
InChIInChI=1S/C26H32N4O2/c1-20-8-10-23(11-9-20)24-7-5-6-21(14-24)15-26(25(31)28(2)3)19-30(12-13-32-26)18-22-16-27-29(4)17-22/h5-11,14,16-17H,12-13,15,18-19H2,1-4H3/t26-/m1/s1
InChIKeyOJTRSHANUNWUQS-AREMUKBSSA-N
MW432.57 g/mol
LogP3.30
Rot. Bonds6

About (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide

(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 92558379) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
PubChem CID92558379
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)CCO3)c2)cc1
InChIInChI=1S/C26H32N4O2/c1-20-8-10-23(11-9-20)24-7-5-6-21(14-24)15-26(25(31)28(2)3)19-30(12-13-32-26)18-22-16-27-29(4)17-22/h5-11,14,16-17H,12-13,15,18-19H2,1-4H3/t26-/m1/s1
InChIKeyOJTRSHANUNWUQS-AREMUKBSSA-N
XLogP3.30
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide (CID 92558379) is (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide is Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)CCO3)c2)cc1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is OJTRSHANUNWUQS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20-8-10-23(11-9-20)24-7-5-6-21(14-24)15-26(25(31)28(2)3)19-30(12-13-32-26)18-22-16-27-29(4)17-22/h5-11,14,16-17H,12-13,15,18-19H2,1-4H3/t26-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92558379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).