(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide

C23H25N5O3 — CID 92605767

IUPAC(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ncn[nH]2)CCO1
InChIInChI=1S/C23H25N5O3/c1-27(2)22(30)23(15-28(11-12-31-23)21(29)20-24-16-25-26-20)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,24,25,26)/t23-/m1/s1
InChIKeyDFVRWXONJFEUBC-HSZRJFAPSA-N
MW419.49 g/mol
LogP2.01
Rot. Bonds5

About (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide

(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide (PubChem CID 92605767) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
PubChem CID92605767
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ncn[nH]2)CCO1
InChIInChI=1S/C23H25N5O3/c1-27(2)22(30)23(15-28(11-12-31-23)21(29)20-24-16-25-26-20)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,24,25,26)/t23-/m1/s1
InChIKeyDFVRWXONJFEUBC-HSZRJFAPSA-N
XLogP2.01
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide (CID 92605767) is (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide is CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ncn[nH]2)CCO1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is DFVRWXONJFEUBC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-27(2)22(30)23(15-28(11-12-31-23)21(29)20-24-16-25-26-20)14-17-7-6-10-19(13-17)18-8-4-3-5-9-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,24,25,26)/t23-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide?
(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 92605767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).