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

C16H16N2O — CID 101112915

IUPAC(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-10-14(15(18-10)16(19)17-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,1-2H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyXYPHMZVHLVDHOF-HUUCEWRRSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds2

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

(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide (PubChem CID 101112915) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
PubChem CID101112915
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H16N2O/c1-10-14(15(18-10)16(19)17-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,1-2H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyXYPHMZVHLVDHOF-HUUCEWRRSA-N
XLogP2.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The IUPAC name of (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide (CID 101112915) is (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide.
What is the SMILES notation for (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The canonical SMILES for (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide is CNC(=O)[C@@H]1N=C(C)[C@@H]1c1cccc2ccccc12.
What is the InChIKey of (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
The InChIKey is XYPHMZVHLVDHOF-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-14(15(18-10)16(19)17-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,1-2H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide?
(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide is sourced from PubChem (CID 101112915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).