(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide

C21H18N2O — CID 101112923

IUPAC(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide
SMILESCC1=N[C@@H](C(=O)Nc2ccccc2)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14-19(18-13-7-9-15-8-5-6-12-17(15)18)20(22-14)21(24)23-16-10-3-2-4-11-16/h2-13,19-20H,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyZBDMIAPGRAIIGN-WOJBJXKFSA-N
MW314.39 g/mol
LogP4.41
Rot. Bonds3

About (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide

(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide (PubChem CID 101112923) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide
PubChem CID101112923
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide
SMILESCC1=N[C@@H](C(=O)Nc2ccccc2)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14-19(18-13-7-9-15-8-5-6-12-17(15)18)20(22-14)21(24)23-16-10-3-2-4-11-16/h2-13,19-20H,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyZBDMIAPGRAIIGN-WOJBJXKFSA-N
XLogP4.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide?
The IUPAC name of (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide (CID 101112923) is (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide.
What is the SMILES notation for (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide?
The canonical SMILES for (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide is CC1=N[C@@H](C(=O)Nc2ccccc2)[C@H]1c1cccc2ccccc12.
What is the InChIKey of (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide?
The InChIKey is ZBDMIAPGRAIIGN-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-19(18-13-7-9-15-8-5-6-12-17(15)18)20(22-14)21(24)23-16-10-3-2-4-11-16/h2-13,19-20H,1H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide?
(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide is sourced from PubChem (CID 101112923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).